3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C153H142N34O31S7 — CID 159643766

IUPAC3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(N)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CN=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(C(N)=O)c3)cnc2N)cc1.CC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C24H25N5O4S.C23H20N4O4S.C22H21N5O5S.C22H19N5O4S.2C21H19N5O5S.C20H19N5O4S/c1-15(30)29-34(32,33)19-10-4-16(5-11-19)13-22(31)23-24(25)27-14-21(28-23)18-8-6-17(7-9-18)20-3-2-12-26-20;1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18;1-13(28)25-17-7-5-16(6-8-17)19-12-24-22(23)21(26-19)20(30)11-15-3-9-18(10-4-15)33(31,32)27-14(2)29;1-13(28)27-32(30,31)18-6-2-14(3-7-18)8-20(29)21-22(23)25-12-19(26-21)15-4-5-16-10-24-11-17(16)9-15;1-12(27)26-32(30,31)16-8-2-13(3-9-16)10-18(28)19-20(22)24-11-17(25-19)14-4-6-15(7-5-14)21(23)29;1-12(27)26-32(30,31)16-7-5-13(6-8-16)9-18(28)19-20(22)24-11-17(25-19)14-3-2-4-15(10-14)21(23)29;1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14/h4-11,14,20,26H,2-3,12-13H2,1H3,(H2,25,27)(H,29,30);2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28);3-10,12H,11H2,1-2H3,(H2,23,24)(H,25,28)(H,27,29);2-7,9-10,12H,8,11H2,1H3,(H2,23,25)(H,27,28);2-9,11H,10H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-8,10-11H,9H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-9,11H,10,21H2,1H3,(H2,22,23)(H,25,26)
InChIKeyMQRPPVHSEYOAIM-UHFFFAOYSA-N
MW3177.49 g/mol
LogP12.50
Rot. Bonds46

About 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 159643766) has the molecular formula C153H142N34O31S7 and a molecular weight of 3177.49 g/mol. Its IUPAC name is 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound Name3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID159643766
Molecular FormulaC153H142N34O31S7
Molecular Weight3177.49 g/mol
Exact Mass3174.86
IUPAC Name3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(N)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CN=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(C(N)=O)c3)cnc2N)cc1.CC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C24H25N5O4S.C23H20N4O4S.C22H21N5O5S.C22H19N5O4S.2C21H19N5O5S.C20H19N5O4S/c1-15(30)29-34(32,33)19-10-4-16(5-11-19)13-22(31)23-24(25)27-14-21(28-23)18-8-6-17(7-9-18)20-3-2-12-26-20;1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18;1-13(28)25-17-7-5-16(6-8-17)19-12-24-22(23)21(26-19)20(30)11-15-3-9-18(10-4-15)33(31,32)27-14(2)29;1-13(28)27-32(30,31)18-6-2-14(3-7-18)8-20(29)21-22(23)25-12-19(26-21)15-4-5-16-10-24-11-17(16)9-15;1-12(27)26-32(30,31)16-8-2-13(3-9-16)10-18(28)19-20(22)24-11-17(25-19)14-4-6-15(7-5-14)21(23)29;1-12(27)26-32(30,31)16-7-5-13(6-8-16)9-18(28)19-20(22)24-11-17(25-19)14-3-2-4-15(10-14)21(23)29;1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14/h4-11,14,20,26H,2-3,12-13H2,1H3,(H2,25,27)(H,29,30);2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28);3-10,12H,11H2,1-2H3,(H2,23,24)(H,25,28)(H,27,29);2-7,9-10,12H,8,11H2,1H3,(H2,23,25)(H,27,28);2-9,11H,10H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-8,10-11H,9H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-9,11H,10,21H2,1H3,(H2,22,23)(H,25,26)
InChIKeyMQRPPVHSEYOAIM-UHFFFAOYSA-N
XLogP12.50
TPSA1090.46 Ų
H-Bond Donors19
H-Bond Acceptors55
Rotatable Bonds46
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003177.49
LogP ≤ 512.50
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide with MolForge

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Related Compounds

3-amino-6-[4-[[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-5-oxopentyl]sulfamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 177653894
3-amino-6-[4-[[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-6-oxohexyl]sulfamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 177654557
3-amino-6-[4-[[8-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-8-oxooctyl]sulfamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 177655220
3-amino-6-[4-[[6-[5-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-6-oxohexyl]sulfamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 177656991
3-amino-6-[4-[[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-7-oxoheptyl]sulfamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 177647714
3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-fluorene-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 123862178
3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethoxyphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonylmethyl)phenyl]ethanone;1-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]propan-2-one;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylmethyl-ethoxyphosphinic acid;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
CID 157064241
2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]pyridine-3-carboxamide;2-[N-[1-(2-cyanophenyl)piperidin-4-yl]-2,4-dimethyl-5-[4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carbonyl]anilino]acetamide;2-[(3S)-4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]-3-methylpiperazin-1-yl]pyridine-3-sulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 157144123
N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158744154
2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]pyridine-3-carboxamide;2-[N-[1-(2-cyanophenyl)piperidin-4-yl]-2,4-dimethyl-5-[4-(2-sulfamoylphenyl)piperazine-1-carbonyl]anilino]acetamide;2-[(3S)-4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]-3-methylpiperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 158932962
N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide
CID 158985779
3-methyl-5-propan-2-ylpyridine;N-methyl-4-propan-2-ylpyridine-2-carboxamide;2-(methylsulfonylmethyl)-4-propan-2-ylpyridine;3-(methylsulfonylmethyl)-5-propan-2-ylpyridine;5-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carboxamide;5-propan-2-ylpyridine-3-carboxamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-3-sulfonamide;1-(4-propan-2-yl-2-pyridinyl)propan-2-one;1-(5-propan-2-yl-3-pyridinyl)propan-2-one
CID 160916430

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 159643766) is 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(N)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CN=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(C(N)=O)c3)cnc2N)cc1.CC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1.
What is the InChIKey of 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is MQRPPVHSEYOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S.C23H20N4O4S.C22H21N5O5S.C22H19N5O4S.2C21H19N5O5S.C20H19N5O4S/c1-15(30)29-34(32,33)19-10-4-16(5-11-19)13-22(31)23-24(25)27-14-21(28-23)18-8-6-17(7-9-18)20-3-2-12-26-20;1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18;1-13(28)25-17-7-5-16(6-8-17)19-12-24-22(23)21(26-19)20(30)11-15-3-9-18(10-4-15)33(31,32)27-14(2)29;1-13(28)27-32(30,31)18-6-2-14(3-7-18)8-20(29)21-22(23)25-12-19(26-21)15-4-5-16-10-24-11-17(16)9-15;1-12(27)26-32(30,31)16-8-2-13(3-9-16)10-18(28)19-20(22)24-11-17(25-19)14-4-6-15(7-5-14)21(23)29;1-12(27)26-32(30,31)16-7-5-13(6-8-16)9-18(28)19-20(22)24-11-17(25-19)14-3-2-4-15(10-14)21(23)29;1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14/h4-11,14,20,26H,2-3,12-13H2,1H3,(H2,25,27)(H,29,30);2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28);3-10,12H,11H2,1-2H3,(H2,23,24)(H,25,28)(H,27,29);2-7,9-10,12H,8,11H2,1H3,(H2,23,25)(H,27,28);2-9,11H,10H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-8,10-11H,9H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-9,11H,10,21H2,1H3,(H2,22,23)(H,25,26).
What are the key properties of 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 3177.49 g/mol, XLogP of 12.50, 46 rotatable bonds, 19 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]phenyl]acetamide;N-[4-[2-[3-amino-6-(4-aminophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-isoindol-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 159643766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).