N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide

C17H18ClNO2S — CID 110004301

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-22-11-12-2-4-14(5-3-12)17(21)19-16(10-20)13-6-8-15(18)9-7-13/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyRWAAXEHCYBBYQD-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.67
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 110004301) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID110004301
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-22-11-12-2-4-14(5-3-12)17(21)19-16(10-20)13-6-8-15(18)9-7-13/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyRWAAXEHCYBBYQD-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)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

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
CID 110004555
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 79246122
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 110004658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide (CID 110004301) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NC(CO)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is RWAAXEHCYBBYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-22-11-12-2-4-14(5-3-12)17(21)19-16(10-20)13-6-8-15(18)9-7-13/h2-9,16,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 335.86 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 110004301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).