2-methyl-N-(4-sulfanylphenyl)benzamide

C14H13NOS — CID 143459352

IUPAC2-methyl-N-(4-sulfanylphenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S)cc1
InChIInChI=1S/C14H13NOS/c1-10-4-2-3-5-13(10)14(16)15-11-6-8-12(17)9-7-11/h2-9,17H,1H3,(H,15,16)
InChIKeyZYCLIIFLJSDBPT-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.54
Rot. Bonds2

About 2-methyl-N-(4-sulfanylphenyl)benzamide

2-methyl-N-(4-sulfanylphenyl)benzamide (PubChem CID 143459352) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-N-(4-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-sulfanylphenyl)benzamide
PubChem CID143459352
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-methyl-N-(4-sulfanylphenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S)cc1
InChIInChI=1S/C14H13NOS/c1-10-4-2-3-5-13(10)14(16)15-11-6-8-12(17)9-7-11/h2-9,17H,1H3,(H,15,16)
InChIKeyZYCLIIFLJSDBPT-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-sulfanylphenyl)benzamide?
The IUPAC name of 2-methyl-N-(4-sulfanylphenyl)benzamide (CID 143459352) is 2-methyl-N-(4-sulfanylphenyl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-sulfanylphenyl)benzamide?
The canonical SMILES for 2-methyl-N-(4-sulfanylphenyl)benzamide is Cc1ccccc1C(=O)Nc1ccc(S)cc1.
What is the InChIKey of 2-methyl-N-(4-sulfanylphenyl)benzamide?
The InChIKey is ZYCLIIFLJSDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10-4-2-3-5-13(10)14(16)15-11-6-8-12(17)9-7-11/h2-9,17H,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(4-sulfanylphenyl)benzamide?
2-methyl-N-(4-sulfanylphenyl)benzamide has a molecular weight of 243.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-sulfanylphenyl)benzamide is sourced from PubChem (CID 143459352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).