4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C19H21ClN2O3S — CID 51065776

IUPAC4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1cccc(NC(=O)C(CCSC)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O3S/c1-25-16-5-3-4-15(12-16)21-19(24)17(10-11-26-2)22-18(23)13-6-8-14(20)9-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQSBLRGFXZSTXGR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.84
Rot. Bonds8

About 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 51065776) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID51065776
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1cccc(NC(=O)C(CCSC)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O3S/c1-25-16-5-3-4-15(12-16)21-19(24)17(10-11-26-2)22-18(23)13-6-8-14(20)9-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQSBLRGFXZSTXGR-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9341786
N-[(2S)-1-(3-chloro-4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9468416
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
N-[(2R)-1-(2-chloroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40973294
N-[(2S)-1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 2458173
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
CID 24687676
2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3326622
2-bromo-N-[1-(3,5-dimethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 43001995
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585
N-[1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 46651561
4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 51065900
N-[1-(4-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 17449804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 51065776) is 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is COc1cccc(NC(=O)C(CCSC)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is QSBLRGFXZSTXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-25-16-5-3-4-15(12-16)21-19(24)17(10-11-26-2)22-18(23)13-6-8-14(20)9-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51065776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).