2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide

C23H24N2O3S — CID 17201030

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S/c1-17-10-9-11-18(2)23(17)25(29(3,27)28)16-22(26)24-21-15-8-7-14-20(21)19-12-5-4-6-13-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyAISAOSNSEQICKC-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.38
Rot. Bonds6

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 17201030) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
PubChem CID17201030
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S/c1-17-10-9-11-18(2)23(17)25(29(3,27)28)16-22(26)24-21-15-8-7-14-20(21)19-12-5-4-6-13-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyAISAOSNSEQICKC-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 30169089
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1144938
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312870
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2-phenylphenyl)acetamide
CID 1265574
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126139478
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide (CID 17201030) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide is Cc1cccc(C)c1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is AISAOSNSEQICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-10-9-11-18(2)23(17)25(29(3,27)28)16-22(26)24-21-15-8-7-14-20(21)19-12-5-4-6-13-19/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 17201030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).