2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide

C15H16N2OS — CID 166075223

IUPAC2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide
SMILESCSN(C)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-17(19-2)14-11-7-6-10-13(14)15(18)16-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,16,18)
InChIKeyPPKVGMUOHUQBFF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.65
Rot. Bonds4

About 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide

2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide (PubChem CID 166075223) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide
PubChem CID166075223
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide
SMILESCSN(C)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-17(19-2)14-11-7-6-10-13(14)15(18)16-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,16,18)
InChIKeyPPKVGMUOHUQBFF-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
CID 157209959
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-(3-acetamidophenyl)-2-(N-methylanilino)benzamide
CID 55736923
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
CID 164666940
CID 164666940
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide?
The IUPAC name of 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide (CID 166075223) is 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide is CSN(C)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide?
The InChIKey is PPKVGMUOHUQBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(19-2)14-11-7-6-10-13(14)15(18)16-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,16,18).
What are the key properties of 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide?
2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfanyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 166075223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).