2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide

C19H21ClN2O2S — CID 9153625

IUPAC2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
SMILESCSc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-12(2)17(22-18(23)15-6-4-5-7-16(15)20)19(24)21-13-8-10-14(25-3)11-9-13/h4-12,17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyRRVKQYJUEXCMES-KRWDZBQOSA-N
MW376.91 g/mol
LogP4.45
Rot. Bonds6

About 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide

2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 9153625) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID9153625
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
SMILESCSc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-12(2)17(22-18(23)15-6-4-5-7-16(15)20)19(24)21-13-8-10-14(25-3)11-9-13/h4-12,17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyRRVKQYJUEXCMES-KRWDZBQOSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 51147231
[2-(4-methylsulfanylanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925854
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 9138264
2-chloro-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9138191
2-chloro-N-[(2S)-1-[2,6-di(propan-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9138768
2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide (CID 9153625) is 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide is CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is RRVKQYJUEXCMES-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-12(2)17(22-18(23)15-6-4-5-7-16(15)20)19(24)21-13-8-10-14(25-3)11-9-13/h4-12,17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide?
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 376.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 9153625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).