N-(4-methylphenyl)-2-methylsulfinylbenzamide

C15H15NO2S — CID 12718460

IUPACN-(4-methylphenyl)-2-methylsulfinylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2S(C)=O)cc1
InChIInChI=1S/C15H15NO2S/c1-11-7-9-12(10-8-11)16-15(17)13-5-3-4-6-14(13)19(2)18/h3-10H,1-2H3,(H,16,17)
InChIKeyYAHNYAZVAFMJFF-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.98
Rot. Bonds3

About N-(4-methylphenyl)-2-methylsulfinylbenzamide

N-(4-methylphenyl)-2-methylsulfinylbenzamide (PubChem CID 12718460) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-methylsulfinylbenzamide
PubChem CID12718460
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(4-methylphenyl)-2-methylsulfinylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2S(C)=O)cc1
InChIInChI=1S/C15H15NO2S/c1-11-7-9-12(10-8-11)16-15(17)13-5-3-4-6-14(13)19(2)18/h3-10H,1-2H3,(H,16,17)
InChIKeyYAHNYAZVAFMJFF-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
CID 39967717
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-tert-butylsulfinyl-N-phenylbenzamide
CID 18629996
2-ethyl-3-hydroxy-N-(4-methylphenyl)benzamide
CID 144929649
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
CID 135017880
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[4-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]benzenesulfonic acid
CID 4144466
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-methylsulfinylbenzamide?
The IUPAC name of N-(4-methylphenyl)-2-methylsulfinylbenzamide (CID 12718460) is N-(4-methylphenyl)-2-methylsulfinylbenzamide.
What is the SMILES notation for N-(4-methylphenyl)-2-methylsulfinylbenzamide?
The canonical SMILES for N-(4-methylphenyl)-2-methylsulfinylbenzamide is Cc1ccc(NC(=O)c2ccccc2S(C)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-methylsulfinylbenzamide?
The InChIKey is YAHNYAZVAFMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-7-9-12(10-8-11)16-15(17)13-5-3-4-6-14(13)19(2)18/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)-2-methylsulfinylbenzamide?
N-(4-methylphenyl)-2-methylsulfinylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-methylsulfinylbenzamide is sourced from PubChem (CID 12718460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).