2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide

C25H27ClN2O3S — CID 30251011

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H27ClN2O3S/c1-17-9-14-23(19(3)15-17)20(4)27-25(29)16-28(24-8-6-5-7-18(24)2)32(30,31)22-12-10-21(26)11-13-22/h5-15,20H,16H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKeyYNVARPWOBDNDSF-FQEVSTJZSA-N
MW471.02 g/mol
LogP5.34
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 30251011) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID30251011
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H27ClN2O3S/c1-17-9-14-23(19(3)15-17)20(4)27-25(29)16-28(24-8-6-5-7-18(24)2)32(30,31)22-12-10-21(26)11-13-22/h5-15,20H,16H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKeyYNVARPWOBDNDSF-FQEVSTJZSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92672309
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28578106
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 53279305
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30212055
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28631720
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217702
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217751
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28569053
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43892934

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide (CID 30251011) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is YNVARPWOBDNDSF-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-17-9-14-23(19(3)15-17)20(4)27-25(29)16-28(24-8-6-5-7-18(24)2)32(30,31)22-12-10-21(26)11-13-22/h5-15,20H,16H2,1-4H3,(H,27,29)/t20-/m0/s1.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 471.02 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30251011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).