4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide

C15H14ClNOS — CID 10062898

IUPAC4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1cccc(SCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNOS/c1-11-3-2-4-14(9-11)19-10-17-15(18)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeySYPGMAQTUUFNRF-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.13
Rot. Bonds4

About 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide

4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 10062898) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide
PubChem CID10062898
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1cccc(SCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNOS/c1-11-3-2-4-14(9-11)19-10-17-15(18)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeySYPGMAQTUUFNRF-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]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

4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 914061
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314
2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 63406815
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 60594383
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide (CID 10062898) is 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide is Cc1cccc(SCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is SYPGMAQTUUFNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-11-3-2-4-14(9-11)19-10-17-15(18)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide?
4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 291.80 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 10062898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).