N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide

C16H17NOS — CID 107023760

IUPACN-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
SMILESCCN(C(=O)c1ccc(S)cc1)c1cccc(C)c1
InChIInChI=1S/C16H17NOS/c1-3-17(14-6-4-5-12(2)11-14)16(18)13-7-9-15(19)10-8-13/h4-11,19H,3H2,1-2H3
InChIKeyPBKNWJPILGKINP-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.95
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide

N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide (PubChem CID 107023760) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
PubChem CID107023760
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
SMILESCCN(C(=O)c1ccc(S)cc1)c1cccc(C)c1
InChIInChI=1S/C16H17NOS/c1-3-17(14-6-4-5-12(2)11-14)16(18)13-7-9-15(19)10-8-13/h4-11,19H,3H2,1-2H3
InChIKeyPBKNWJPILGKINP-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide 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

1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
2-bromo-N-ethyl-N-(3-methylphenyl)-5-sulfanylbenzamide
CID 107023751
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
CID 110295328
4-(cyclopropylsulfamoyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 109058411
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide (CID 107023760) is N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide is CCN(C(=O)c1ccc(S)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide?
The InChIKey is PBKNWJPILGKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-3-17(14-6-4-5-12(2)11-14)16(18)13-7-9-15(19)10-8-13/h4-11,19H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide?
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide has a molecular weight of 271.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107023760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).