2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide

C23H23ClN2O3S2 — CID 2290648

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C23H23ClN2O3S2/c1-17-14-18(16-30-19-8-4-3-5-9-19)12-13-21(17)25-23(27)15-26(31(2,28)29)22-11-7-6-10-20(22)24/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyIVRPFHCCENQTRF-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.35
Rot. Bonds8

About 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 2290648) has the molecular formula C23H23ClN2O3S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID2290648
Molecular FormulaC23H23ClN2O3S2
Molecular Weight475.04 g/mol
Exact Mass474.08
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C23H23ClN2O3S2/c1-17-14-18(16-30-19-8-4-3-5-9-19)12-13-21(17)25-23(27)15-26(31(2,28)29)22-11-7-6-10-20(22)24/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyIVRPFHCCENQTRF-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43879930
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1019179
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43880206
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 5021782
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 2893886
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
CID 2984578
4-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126186190
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide (CID 2290648) is 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is IVRPFHCCENQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S2/c1-17-14-18(16-30-19-8-4-3-5-9-19)12-13-21(17)25-23(27)15-26(31(2,28)29)22-11-7-6-10-20(22)24/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 475.04 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 2290648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).