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

C24H25ClN2O3S2 — CID 2984578

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25ClN2O3S2/c1-17-15-19(16-31-22-7-5-4-6-8-22)9-14-23(17)26-24(28)18(2)27(32(3,29)30)21-12-10-20(25)11-13-21/h4-15,18H,16H2,1-3H3,(H,26,28)
InChIKeyAWCHDCRWUOBDNB-UHFFFAOYSA-N
MW489.06 g/mol
LogP5.73
Rot. Bonds8

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

2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide (PubChem CID 2984578) has the molecular formula C24H25ClN2O3S2 and a molecular weight of 489.06 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
PubChem CID2984578
Molecular FormulaC24H25ClN2O3S2
Molecular Weight489.06 g/mol
Exact Mass488.10
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25ClN2O3S2/c1-17-15-19(16-31-22-7-5-4-6-8-22)9-14-23(17)26-24(28)18(2)27(32(3,29)30)21-12-10-20(25)11-13-21/h4-15,18H,16H2,1-3H3,(H,26,28)
InChIKeyAWCHDCRWUOBDNB-UHFFFAOYSA-N
XLogP5.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.06
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
CID 2967366
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 126415231
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 99954361
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
4-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126186190
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2290648
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide (CID 2984578) is 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide?
The InChIKey is AWCHDCRWUOBDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S2/c1-17-15-19(16-31-22-7-5-4-6-8-22)9-14-23(17)26-24(28)18(2)27(32(3,29)30)21-12-10-20(25)11-13-21/h4-15,18H,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide has a molecular weight of 489.06 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide is sourced from PubChem (CID 2984578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).