N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

C196H343ClN20O37S20 — CID 161262822

IUPACN-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(S(N)(=O)=O)s1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC(NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC)S(=O)c1ccccc1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC=NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC.CCCCCCCCCCCCCCCCCCCC(NS(=O)(=O)c1nnc(NC(C)=O)s1)S(=O)c1ccccc1.CCCCCCCCCCCCCCCCCCCC=NS(=O)(=O)c1nnc(NC(C)=O)s1.CCCCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCCCCC=O.CCN(C(=O)OC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.COC(=O)Cl
InChIInChI=1S/C40H66N2O7S4.C34H60N2O6S3.C30H50N4O4S3.C24H44N4O3S2.2C20H40O.C12H18N2O6S3.C10H16N2O4S3.C4H6N4O3S2.C2H3ClO2/c1-11-27(8)31(13-3)33(15-5)34(16-6)32(14-4)29(12-2)23-24-37(51(44)30-21-19-18-20-22-30)41-53(47,48)38-26-35-36(42(17-7)40(43)49-10)25-28(9)52(45,46)39(35)50-38;1-11-23(8)26(13-3)28(15-5)29(16-6)27(14-4)25(12-2)19-18-20-35-45(40,41)32-22-30-31(36(17-7)34(37)42-10)21-24(9)44(38,39)33(30)43-32;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(40(36)27-23-20-19-21-24-27)34-41(37,38)30-33-32-29(39-30)31-26(2)35;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33(30,31)24-28-27-23(32-24)26-22(2)29;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;1-4-14(12(15)20-3)9-5-7(2)22(16,17)11-8(9)6-10(21-11)23(13,18)19;1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;1-2(9)6-3-7-8-4(12-3)13(5,10)11;1-5-2(3)4/h18-22,26-29,31-34,36-37,41H,11-17,23-25H2,1-10H3;20,22-29,31H,11-19,21H2,1-10H3;19-21,23-24,28,34H,3-18,22,25H2,1-2H3,(H,31,32,35);21H,3-20H2,1-2H3,(H,26,27,29);2*20H,2-19H2,1H3;6-7,9H,4-5H2,1-3H3,(H2,13,18,19);5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H3,(H2,5,10,11)(H,6,7,9);1H3/t27?,28-,29?,31?,32?,33?,34?,36-,37?,51?;23?,24-,25?,26?,27?,28?,29?,31-;;;;;7-,9-;6-,8-;;/m00....00../s1
InChIKeyVCUAEXXYYWUEPI-PKAPKNEESA-N
MW4248.80 g/mol
LogP50.51
Rot. Bonds128

About N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 161262822) has the molecular formula C196H343ClN20O37S20 and a molecular weight of 4248.80 g/mol. Its IUPAC name is N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID161262822
Molecular FormulaC196H343ClN20O37S20
Molecular Weight4248.80 g/mol
Exact Mass4243.97
IUPAC NameN-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(S(N)(=O)=O)s1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC(NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC)S(=O)c1ccccc1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC=NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC.CCCCCCCCCCCCCCCCCCCC(NS(=O)(=O)c1nnc(NC(C)=O)s1)S(=O)c1ccccc1.CCCCCCCCCCCCCCCCCCCC=NS(=O)(=O)c1nnc(NC(C)=O)s1.CCCCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCCCCC=O.CCN(C(=O)OC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.COC(=O)Cl
InChIInChI=1S/C40H66N2O7S4.C34H60N2O6S3.C30H50N4O4S3.C24H44N4O3S2.2C20H40O.C12H18N2O6S3.C10H16N2O4S3.C4H6N4O3S2.C2H3ClO2/c1-11-27(8)31(13-3)33(15-5)34(16-6)32(14-4)29(12-2)23-24-37(51(44)30-21-19-18-20-22-30)41-53(47,48)38-26-35-36(42(17-7)40(43)49-10)25-28(9)52(45,46)39(35)50-38;1-11-23(8)26(13-3)28(15-5)29(16-6)27(14-4)25(12-2)19-18-20-35-45(40,41)32-22-30-31(36(17-7)34(37)42-10)21-24(9)44(38,39)33(30)43-32;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(40(36)27-23-20-19-21-24-27)34-41(37,38)30-33-32-29(39-30)31-26(2)35;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33(30,31)24-28-27-23(32-24)26-22(2)29;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;1-4-14(12(15)20-3)9-5-7(2)22(16,17)11-8(9)6-10(21-11)23(13,18)19;1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;1-2(9)6-3-7-8-4(12-3)13(5,10)11;1-5-2(3)4/h18-22,26-29,31-34,36-37,41H,11-17,23-25H2,1-10H3;20,22-29,31H,11-19,21H2,1-10H3;19-21,23-24,28,34H,3-18,22,25H2,1-2H3,(H,31,32,35);21H,3-20H2,1-2H3,(H,26,27,29);2*20H,2-19H2,1H3;6-7,9H,4-5H2,1-3H3,(H2,13,18,19);5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H3,(H2,5,10,11)(H,6,7,9);1H3/t27?,28-,29?,31?,32?,33?,34?,36-,37?,51?;23?,24-,25?,26?,27?,28?,29?,31-;;;;;7-,9-;6-,8-;;/m00....00../s1
InChIKeyVCUAEXXYYWUEPI-PKAPKNEESA-N
XLogP50.51
TPSA862.25 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds128
Heavy Atoms274
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004248.80
LogP ≤ 550.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 161262822) is N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(S(N)(=O)=O)s1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC(NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC)S(=O)c1ccccc1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC=NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC.CCCCCCCCCCCCCCCCCCCC(NS(=O)(=O)c1nnc(NC(C)=O)s1)S(=O)c1ccccc1.CCCCCCCCCCCCCCCCCCCC=NS(=O)(=O)c1nnc(NC(C)=O)s1.CCCCCCCCCCCCCCCCCCCC=O.CCCCCCCCCCCCCCCCCCCC=O.CCN(C(=O)OC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.COC(=O)Cl.
What is the InChIKey of N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VCUAEXXYYWUEPI-PKAPKNEESA-N. The full InChI is InChI=1S/C40H66N2O7S4.C34H60N2O6S3.C30H50N4O4S3.C24H44N4O3S2.2C20H40O.C12H18N2O6S3.C10H16N2O4S3.C4H6N4O3S2.C2H3ClO2/c1-11-27(8)31(13-3)33(15-5)34(16-6)32(14-4)29(12-2)23-24-37(51(44)30-21-19-18-20-22-30)41-53(47,48)38-26-35-36(42(17-7)40(43)49-10)25-28(9)52(45,46)39(35)50-38;1-11-23(8)26(13-3)28(15-5)29(16-6)27(14-4)25(12-2)19-18-20-35-45(40,41)32-22-30-31(36(17-7)34(37)42-10)21-24(9)44(38,39)33(30)43-32;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(40(36)27-23-20-19-21-24-27)34-41(37,38)30-33-32-29(39-30)31-26(2)35;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33(30,31)24-28-27-23(32-24)26-22(2)29;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;1-4-14(12(15)20-3)9-5-7(2)22(16,17)11-8(9)6-10(21-11)23(13,18)19;1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;1-2(9)6-3-7-8-4(12-3)13(5,10)11;1-5-2(3)4/h18-22,26-29,31-34,36-37,41H,11-17,23-25H2,1-10H3;20,22-29,31H,11-19,21H2,1-10H3;19-21,23-24,28,34H,3-18,22,25H2,1-2H3,(H,31,32,35);21H,3-20H2,1-2H3,(H,26,27,29);2*20H,2-19H2,1H3;6-7,9H,4-5H2,1-3H3,(H2,13,18,19);5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H3,(H2,5,10,11)(H,6,7,9);1H3/t27?,28-,29?,31?,32?,33?,34?,36-,37?,51?;23?,24-,25?,26?,27?,28?,29?,31-;;;;;7-,9-;6-,8-;;/m00....00../s1.
What are the key properties of N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 4248.80 g/mol, XLogP of 50.51, 128 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(benzenesulfinyl)icosylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;bis(icosanal);N-[5-(icosylideneamino)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 161262822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).