N,N-dimethyl-2-phenylsulfanylbenzamide

C15H15NOS — CID 21402688

IUPACN,N-dimethyl-2-phenylsulfanylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1ccccc1
InChIInChI=1S/C15H15NOS/c1-16(2)15(17)13-10-6-7-11-14(13)18-12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyLMGZDAHKEIUHRR-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.54
Rot. Bonds3

About N,N-dimethyl-2-phenylsulfanylbenzamide

N,N-dimethyl-2-phenylsulfanylbenzamide (PubChem CID 21402688) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylsulfanylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylsulfanylbenzamide
PubChem CID21402688
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN,N-dimethyl-2-phenylsulfanylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1ccccc1
InChIInChI=1S/C15H15NOS/c1-16(2)15(17)13-10-6-7-11-14(13)18-12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyLMGZDAHKEIUHRR-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-phenylsulfanylbenzamide 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-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide
CID 54287350
2-phenylsulfanylbenzoic acid;2-phenylsulfanylbenzoyl chloride
CID 161226077
1-[2,3-bis(phenylsulfanyl)phenyl]ethanone
CID 150211220
4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 54513652
2-(cyanomethylsulfanyl)-N,N-dimethylbenzamide
CID 60692429
2-(4-acetylphenyl)sulfanylbenzoic acid
CID 43627891
2-hydroxy-2-methyl-3-[(2-phenylsulfanylbenzoyl)amino]propanoic acid
CID 154862376
(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
CID 827133
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide
CID 15132119
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
CID 57461293
2-amino-3-phenylsulfanylbenzoic acid
CID 115547407
2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylsulfanylbenzamide?
The IUPAC name of N,N-dimethyl-2-phenylsulfanylbenzamide (CID 21402688) is N,N-dimethyl-2-phenylsulfanylbenzamide.
What is the SMILES notation for N,N-dimethyl-2-phenylsulfanylbenzamide?
The canonical SMILES for N,N-dimethyl-2-phenylsulfanylbenzamide is CN(C)C(=O)c1ccccc1Sc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylsulfanylbenzamide?
The InChIKey is LMGZDAHKEIUHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-16(2)15(17)13-10-6-7-11-14(13)18-12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-2-phenylsulfanylbenzamide?
N,N-dimethyl-2-phenylsulfanylbenzamide has a molecular weight of 257.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylsulfanylbenzamide is sourced from PubChem (CID 21402688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).