2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C27H31ClN4O6S2 — CID 99967444

IUPAC2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H31ClN4O6S2/c1-20-4-13-25(38-3)26(18-20)40(36,37)32(23-9-5-21(28)6-10-23)19-27(33)29-22-7-11-24(12-8-22)39(34,35)31-16-14-30(2)15-17-31/h4-13,18H,14-17,19H2,1-3H3,(H,29,33)
InChIKeyDNSNIXFKGMNXRB-UHFFFAOYSA-N
MW607.15 g/mol
LogP3.43
Rot. Bonds9

About 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 99967444) has the molecular formula C27H31ClN4O6S2 and a molecular weight of 607.15 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID99967444
Molecular FormulaC27H31ClN4O6S2
Molecular Weight607.15 g/mol
Exact Mass606.14
IUPAC Name2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H31ClN4O6S2/c1-20-4-13-25(38-3)26(18-20)40(36,37)32(23-9-5-21(28)6-10-23)19-27(33)29-22-7-11-24(12-8-22)39(34,35)31-16-14-30(2)15-17-31/h4-13,18H,14-17,19H2,1-3H3,(H,29,33)
InChIKeyDNSNIXFKGMNXRB-UHFFFAOYSA-N
XLogP3.43
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301795
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279448
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28547418
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 43900103
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874657
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 99967444) is 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is DNSNIXFKGMNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O6S2/c1-20-4-13-25(38-3)26(18-20)40(36,37)32(23-9-5-21(28)6-10-23)19-27(33)29-22-7-11-24(12-8-22)39(34,35)31-16-14-30(2)15-17-31/h4-13,18H,14-17,19H2,1-3H3,(H,29,33).
What are the key properties of 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 607.15 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 99967444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).