2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide

C25H28N2O3S — CID 132611241

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide
SMILESCCc1ccc(N(CC(=O)NC(CC)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-3-20-15-17-22(18-16-20)27(31(29,30)23-13-9-6-10-14-23)19-25(28)26-24(4-2)21-11-7-5-8-12-21/h5-18,24H,3-4,19H2,1-2H3,(H,26,28)
InChIKeyNQFRBYBFSVIOBU-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.71
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide (PubChem CID 132611241) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide
PubChem CID132611241
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide
SMILESCCc1ccc(N(CC(=O)NC(CC)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-3-20-15-17-22(18-16-20)27(31(29,30)23-13-9-6-10-14-23)19-25(28)26-24(4-2)21-11-7-5-8-12-21/h5-18,24H,3-4,19H2,1-2H3,(H,26,28)
InChIKeyNQFRBYBFSVIOBU-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(1-phenylpropyl)acetamide
CID 43901870
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(1-phenylpropyl)acetamide
CID 43902172
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 125057942
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 126033735
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 30305609
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
CID 46770565
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 99130842
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304440
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 28567224
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide (CID 132611241) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide is CCc1ccc(N(CC(=O)NC(CC)c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide?
The InChIKey is NQFRBYBFSVIOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-3-20-15-17-22(18-16-20)27(31(29,30)23-13-9-6-10-14-23)19-25(28)26-24(4-2)21-11-7-5-8-12-21/h5-18,24H,3-4,19H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 132611241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).