2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C25H28N2O3S — CID 38262849

IUPAC2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3S/c1-18(2)23-15-9-11-20(4)25(23)26-24(28)17-27(21-12-6-5-7-13-21)31(29,30)22-14-8-10-19(3)16-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyVYYTUTGGBZNNLM-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.26
Rot. Bonds7

About 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 38262849) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID38262849
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3S/c1-18(2)23-15-9-11-20(4)25(23)26-24(28)17-27(21-12-6-5-7-13-21)31(29,30)22-14-8-10-19(3)16-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyVYYTUTGGBZNNLM-UHFFFAOYSA-N
XLogP5.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113167564
N-(3-acetylphenyl)-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 18097238
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632472
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 126324563
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 38262849) is 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2)c1.
What is the InChIKey of 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is VYYTUTGGBZNNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18(2)23-15-9-11-20(4)25(23)26-24(28)17-27(21-12-6-5-7-13-21)31(29,30)22-14-8-10-19(3)16-22/h5-16,18H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 38262849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).