2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

C18H21N3O4S — CID 113155819

IUPAC2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-4-6-16(7-5-13)20-18(23)12-21(26(3,24)25)17-10-8-15(9-11-17)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVBNRSFAQSATDNO-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 113155819) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID113155819
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-4-6-16(7-5-13)20-18(23)12-21(26(3,24)25)17-10-8-15(9-11-17)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVBNRSFAQSATDNO-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2420389
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methylphenyl)acetamide
CID 1372309
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 51342561
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131896194

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 113155819) is 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is CC(=O)Nc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is VBNRSFAQSATDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-4-6-16(7-5-13)20-18(23)12-21(26(3,24)25)17-10-8-15(9-11-17)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 113155819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).