2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

C28H25ClN2O4S2 — CID 126184871

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C28H25ClN2O4S2/c1-35-25-14-16-27(17-15-25)37(33,34)31(24-7-5-6-22(29)18-24)19-28(32)30-23-12-10-21(11-13-23)20-36-26-8-3-2-4-9-26/h2-18H,19-20H2,1H3,(H,30,32)
InChIKeyNDNPKNIESRZHAZ-UHFFFAOYSA-N
MW553.11 g/mol
LogP6.47
Rot. Bonds10

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 126184871) has the molecular formula C28H25ClN2O4S2 and a molecular weight of 553.11 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID126184871
Molecular FormulaC28H25ClN2O4S2
Molecular Weight553.11 g/mol
Exact Mass552.09
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C28H25ClN2O4S2/c1-35-25-14-16-27(17-15-25)37(33,34)31(24-7-5-6-22(29)18-24)19-28(32)30-23-12-10-21(11-13-23)20-36-26-8-3-2-4-9-26/h2-18H,19-20H2,1H3,(H,30,32)
InChIKeyNDNPKNIESRZHAZ-UHFFFAOYSA-N
XLogP6.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.11
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28589454
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1318600
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43880945
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43881820
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502499
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43880423
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880378
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (CID 126184871) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is NDNPKNIESRZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O4S2/c1-35-25-14-16-27(17-15-25)37(33,34)31(24-7-5-6-22(29)18-24)19-28(32)30-23-12-10-21(11-13-23)20-36-26-8-3-2-4-9-26/h2-18H,19-20H2,1H3,(H,30,32).
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 553.11 g/mol, XLogP of 6.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 126184871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).