2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide

C11H14ClNOS — CID 4806698

IUPAC2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC(C)C)c1
InChIInChI=1S/C11H14ClNOS/c1-7(2)13-11(14)9-6-8(15-3)4-5-10(9)12/h4-7H,1-3H3,(H,13,14)
InChIKeyMAKJPIHXDSOUME-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide

2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide (PubChem CID 4806698) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
PubChem CID4806698
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC(C)C)c1
InChIInChI=1S/C11H14ClNOS/c1-7(2)13-11(14)9-6-8(15-3)4-5-10(9)12/h4-7H,1-3H3,(H,13,14)
InChIKeyMAKJPIHXDSOUME-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide 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-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862
2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
CID 113272456
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
CID 47110574
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 65191370
4-amino-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid
CID 43240153
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide (CID 4806698) is 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide is CSc1ccc(Cl)c(C(=O)NC(C)C)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide?
The InChIKey is MAKJPIHXDSOUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-7(2)13-11(14)9-6-8(15-3)4-5-10(9)12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide?
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide has a molecular weight of 243.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 4806698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).