N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide

C182H183N27O30S8 — CID 161226931

IUPACN-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide
SMILESCCc1cccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c3ccccc3)CC2)c1.CN(C)C1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1.CN1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1.Cc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c3ccccc3)CC2)cc1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(CCO)Cc1ccccc1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C29H30N4O4S.C28H28N4O4S.C27H23N3O5S2.C26H25N5O4S.C26H25N3O5S.C24H28N4O4S.C22H24N4O4S/c1-2-21-7-6-10-24(19-21)32-15-17-33(18-16-32)29(35)28(22-8-4-3-5-9-22)31-38(36,37)25-12-13-26-23(20-25)11-14-27(34)30-26;1-20-7-10-23(11-8-20)31-15-17-32(18-16-31)28(34)27(21-5-3-2-4-6-21)30-37(35,36)24-12-13-25-22(19-24)9-14-26(33)29-25;31-25-13-10-20-16-23(11-12-24(20)28-25)37(33,34)29-26(19-6-2-1-3-7-19)27(32)30(17-21-8-4-14-35-21)18-22-9-5-15-36-22;32-24-12-9-20-18-21(10-11-22(20)28-24)36(34,35)29-25(19-6-2-1-3-7-19)26(33)31-16-14-30(15-17-31)23-8-4-5-13-27-23;30-16-15-29(18-19-7-3-1-4-8-19)26(32)25(20-9-5-2-6-10-20)28-35(33,34)22-12-13-23-21(17-22)11-14-24(31)27-23;1-27(2)19-12-14-28(15-13-19)24(30)23(17-6-4-3-5-7-17)26-33(31,32)20-9-10-21-18(16-20)8-11-22(29)25-21;1-25-11-13-26(14-12-25)22(28)21(16-5-3-2-4-6-16)24-31(29,30)18-8-9-19-17(15-18)7-10-20(27)23-19/h3-14,19-20,28,31H,2,15-18H2,1H3,(H,30,34);2-14,19,27,30H,15-18H2,1H3,(H,29,33);1-16,26,29H,17-18H2,(H,28,31);1-13,18,25,29H,14-17H2,(H,28,32);1-14,17,25,28,30H,15-16,18H2,(H,27,31);3-11,16,19,23,26H,12-15H2,1-2H3,(H,25,29);2-10,15,21,24H,11-14H2,1H3,(H,23,27)
InChIKeyUYGCOBZZMZSJSV-UHFFFAOYSA-N
MW3485.16 g/mol
LogP19.38
Rot. Bonds48

About N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide

N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide (PubChem CID 161226931) has the molecular formula C182H183N27O30S8 and a molecular weight of 3485.16 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide
PubChem CID161226931
Molecular FormulaC182H183N27O30S8
Molecular Weight3485.16 g/mol
Exact Mass3482.14
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide
SMILESCCc1cccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c3ccccc3)CC2)c1.CN(C)C1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1.CN1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1.Cc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c3ccccc3)CC2)cc1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(CCO)Cc1ccccc1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C29H30N4O4S.C28H28N4O4S.C27H23N3O5S2.C26H25N5O4S.C26H25N3O5S.C24H28N4O4S.C22H24N4O4S/c1-2-21-7-6-10-24(19-21)32-15-17-33(18-16-32)29(35)28(22-8-4-3-5-9-22)31-38(36,37)25-12-13-26-23(20-25)11-14-27(34)30-26;1-20-7-10-23(11-8-20)31-15-17-32(18-16-31)28(34)27(21-5-3-2-4-6-21)30-37(35,36)24-12-13-25-22(19-24)9-14-26(33)29-25;31-25-13-10-20-16-23(11-12-24(20)28-25)37(33,34)29-26(19-6-2-1-3-7-19)27(32)30(17-21-8-4-14-35-21)18-22-9-5-15-36-22;32-24-12-9-20-18-21(10-11-22(20)28-24)36(34,35)29-25(19-6-2-1-3-7-19)26(33)31-16-14-30(15-17-31)23-8-4-5-13-27-23;30-16-15-29(18-19-7-3-1-4-8-19)26(32)25(20-9-5-2-6-10-20)28-35(33,34)22-12-13-23-21(17-22)11-14-24(31)27-23;1-27(2)19-12-14-28(15-13-19)24(30)23(17-6-4-3-5-7-17)26-33(31,32)20-9-10-21-18(16-20)8-11-22(29)25-21;1-25-11-13-26(14-12-25)22(28)21(16-5-3-2-4-6-16)24-31(29,30)18-8-9-19-17(15-18)7-10-20(27)23-19/h3-14,19-20,28,31H,2,15-18H2,1H3,(H,30,34);2-14,19,27,30H,15-18H2,1H3,(H,29,33);1-16,26,29H,17-18H2,(H,28,31);1-13,18,25,29H,14-17H2,(H,28,32);1-14,17,25,28,30H,15-16,18H2,(H,27,31);3-11,16,19,23,26H,12-15H2,1-2H3,(H,25,29);2-10,15,21,24H,11-14H2,1H3,(H,23,27)
InChIKeyUYGCOBZZMZSJSV-UHFFFAOYSA-N
XLogP19.38
TPSA757.84 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds48
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003485.16
LogP ≤ 519.38
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 158136004
N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-benzyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-benzyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-[2-[4-(dimethylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 160163493
N-cyclohexyl-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;N-[1-(3-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 161744579

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide (CID 161226931) is N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide is CCc1cccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c3ccccc3)CC2)c1.CN(C)C1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1.CN1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1.Cc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c3ccccc3)CC2)cc1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(CCO)Cc1ccccc1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide?
The InChIKey is UYGCOBZZMZSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4S.C28H28N4O4S.C27H23N3O5S2.C26H25N5O4S.C26H25N3O5S.C24H28N4O4S.C22H24N4O4S/c1-2-21-7-6-10-24(19-21)32-15-17-33(18-16-32)29(35)28(22-8-4-3-5-9-22)31-38(36,37)25-12-13-26-23(20-25)11-14-27(34)30-26;1-20-7-10-23(11-8-20)31-15-17-32(18-16-31)28(34)27(21-5-3-2-4-6-21)30-37(35,36)24-12-13-25-22(19-24)9-14-26(33)29-25;31-25-13-10-20-16-23(11-12-24(20)28-25)37(33,34)29-26(19-6-2-1-3-7-19)27(32)30(17-21-8-4-14-35-21)18-22-9-5-15-36-22;32-24-12-9-20-18-21(10-11-22(20)28-24)36(34,35)29-25(19-6-2-1-3-7-19)26(33)31-16-14-30(15-17-31)23-8-4-5-13-27-23;30-16-15-29(18-19-7-3-1-4-8-19)26(32)25(20-9-5-2-6-10-20)28-35(33,34)22-12-13-23-21(17-22)11-14-24(31)27-23;1-27(2)19-12-14-28(15-13-19)24(30)23(17-6-4-3-5-7-17)26-33(31,32)20-9-10-21-18(16-20)8-11-22(29)25-21;1-25-11-13-26(14-12-25)22(28)21(16-5-3-2-4-6-16)24-31(29,30)18-8-9-19-17(15-18)7-10-20(27)23-19/h3-14,19-20,28,31H,2,15-18H2,1H3,(H,30,34);2-14,19,27,30H,15-18H2,1H3,(H,29,33);1-16,26,29H,17-18H2,(H,28,31);1-13,18,25,29H,14-17H2,(H,28,32);1-14,17,25,28,30H,15-16,18H2,(H,27,31);3-11,16,19,23,26H,12-15H2,1-2H3,(H,25,29);2-10,15,21,24H,11-14H2,1H3,(H,23,27).
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide?
N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide has a molecular weight of 3485.16 g/mol, XLogP of 19.38, 48 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-[4-(3-ethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 161226931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).