N-(4-acetamidophenyl)-2-methylsulfonylbenzamide

C16H16N2O4S — CID 8701377

IUPACN-(4-acetamidophenyl)-2-methylsulfonylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O4S/c1-11(19)17-12-7-9-13(10-8-12)18-16(20)14-5-3-4-6-15(14)23(2,21)22/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyNCGPMGCARYFMHN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.30
Rot. Bonds4

About N-(4-acetamidophenyl)-2-methylsulfonylbenzamide

N-(4-acetamidophenyl)-2-methylsulfonylbenzamide (PubChem CID 8701377) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-methylsulfonylbenzamide
PubChem CID8701377
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(4-acetamidophenyl)-2-methylsulfonylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O4S/c1-11(19)17-12-7-9-13(10-8-12)18-16(20)14-5-3-4-6-15(14)23(2,21)22/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyNCGPMGCARYFMHN-UHFFFAOYSA-N
XLogP2.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 87026481
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
N-(1-tert-butylpyrazol-4-yl)-2-methylsulfonylbenzamide
CID 86860481
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-methylsulfonylbenzamide (CID 8701377) is N-(4-acetamidophenyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-methylsulfonylbenzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-methylsulfonylbenzamide?
The InChIKey is NCGPMGCARYFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11(19)17-12-7-9-13(10-8-12)18-16(20)14-5-3-4-6-15(14)23(2,21)22/h3-10H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidophenyl)-2-methylsulfonylbenzamide?
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide has a molecular weight of 332.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 8701377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).