2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide

C17H18ClNO2S — CID 111335170

IUPAC2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H18ClNO2S/c1-17(21,12-6-4-3-5-7-12)11-19-16(20)14-10-13(22-2)8-9-15(14)18/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyVJQXHAQSISKTQY-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.70
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide

2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide (PubChem CID 111335170) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
PubChem CID111335170
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H18ClNO2S/c1-17(21,12-6-4-3-5-7-12)11-19-16(20)14-10-13(22-2)8-9-15(14)18/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyVJQXHAQSISKTQY-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide 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-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
CID 65110031
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide (CID 111335170) is 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide?
The InChIKey is VJQXHAQSISKTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-17(21,12-6-4-3-5-7-12)11-19-16(20)14-10-13(22-2)8-9-15(14)18/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide?
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide has a molecular weight of 335.86 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 111335170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).