(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide

C18H21ClN2O3S2 — CID 99954361

IUPAC(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S2/c1-4-25-17-8-6-5-7-16(17)20-18(22)13(2)21(26(3,23)24)15-11-9-14(19)10-12-15/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeySXAPLNPDPJIEBM-CYBMUJFWSA-N
MW412.96 g/mol
LogP4.25
Rot. Bonds7

About (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 99954361) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID99954361
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S2/c1-4-25-17-8-6-5-7-16(17)20-18(22)13(2)21(26(3,23)24)15-11-9-14(19)10-12-15/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeySXAPLNPDPJIEBM-CYBMUJFWSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 132674141
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 94013354
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2239247
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30390281
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
CID 2984578
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide (CID 99954361) is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is SXAPLNPDPJIEBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-4-25-17-8-6-5-7-16(17)20-18(22)13(2)21(26(3,23)24)15-11-9-14(19)10-12-15/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide has a molecular weight of 412.96 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 99954361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).