N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide

C15H12N2OS — CID 107028997

IUPACN-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
SMILESCN(C(=O)c1cccc(S)c1)c1ccc(C#N)cc1
InChIInChI=1S/C15H12N2OS/c1-17(13-7-5-11(10-16)6-8-13)15(18)12-3-2-4-14(19)9-12/h2-9,19H,1H3
InChIKeyYBOYYVQRUAVKBO-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.12
Rot. Bonds2

About N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide

N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide (PubChem CID 107028997) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
PubChem CID107028997
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
SMILESCN(C(=O)c1cccc(S)c1)c1ccc(C#N)cc1
InChIInChI=1S/C15H12N2OS/c1-17(13-7-5-11(10-16)6-8-13)15(18)12-3-2-4-14(19)9-12/h2-9,19H,1H3
InChIKeyYBOYYVQRUAVKBO-UHFFFAOYSA-N
XLogP3.12
TPSA44.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
3-[(4-cyanophenoxy)methyl]-N-methyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86954216

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide (CID 107028997) is N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide is CN(C(=O)c1cccc(S)c1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide?
The InChIKey is YBOYYVQRUAVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-17(13-7-5-11(10-16)6-8-13)15(18)12-3-2-4-14(19)9-12/h2-9,19H,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide?
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide is sourced from PubChem (CID 107028997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).