2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)

C89H94Cl2N8O18S4 — CID 161059853

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1.COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1.COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1.COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O5S.2C22H21ClN2O4S.C22H28N2O5S/c1-17-8-7-9-18(14-17)24-23(26)16-25(31(27,28)20-10-5-4-6-11-20)21-15-19(29-2)12-13-22(21)30-3;2*1-16-12-13-21(29-2)20(14-16)25(30(27,28)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23;1-28-18-13-14-21(29-2)20(15-18)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h4-15H,16H2,1-3H3,(H,24,26);2*3-14H,15H2,1-2H3,(H,24,26);4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,23,25)
InChIKeyUDGHLGOIWXPKJS-UHFFFAOYSA-N
MW1762.94 g/mol
LogP16.18
Rot. Bonds30

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide) (PubChem CID 161059853) has the molecular formula C89H94Cl2N8O18S4 and a molecular weight of 1762.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide).

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)
PubChem CID161059853
Molecular FormulaC89H94Cl2N8O18S4
Molecular Weight1762.94 g/mol
Exact Mass1760.49
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1.COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1.COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1.COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O5S.2C22H21ClN2O4S.C22H28N2O5S/c1-17-8-7-9-18(14-17)24-23(26)16-25(31(27,28)20-10-5-4-6-11-20)21-15-19(29-2)12-13-22(21)30-3;2*1-16-12-13-21(29-2)20(14-16)25(30(27,28)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23;1-28-18-13-14-21(29-2)20(15-18)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h4-15H,16H2,1-3H3,(H,24,26);2*3-14H,15H2,1-2H3,(H,24,26);4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,23,25)
InChIKeyUDGHLGOIWXPKJS-UHFFFAOYSA-N
XLogP16.18
TPSA321.30 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.94
LogP ≤ 516.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide) with MolForge

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881724
N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide) (CID 161059853) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide).
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide) is COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1.COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1.COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1.COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)?
The InChIKey is UDGHLGOIWXPKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S.2C22H21ClN2O4S.C22H28N2O5S/c1-17-8-7-9-18(14-17)24-23(26)16-25(31(27,28)20-10-5-4-6-11-20)21-15-19(29-2)12-13-22(21)30-3;2*1-16-12-13-21(29-2)20(14-16)25(30(27,28)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23;1-28-18-13-14-21(29-2)20(15-18)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h4-15H,16H2,1-3H3,(H,24,26);2*3-14H,15H2,1-2H3,(H,24,26);4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide)?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide) has a molecular weight of 1762.94 g/mol, XLogP of 16.18, 30 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-cyclohexylacetamide;2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methylphenyl)acetamide;bis(2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chlorophenyl)acetamide) is sourced from PubChem (CID 161059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).