N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C25H28N2O4S — CID 43890719

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCc1cccc(C)c1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-20-12-8-9-18(2)24(20)26-25(28)23(17-19-10-6-5-7-11-19)27-32(29,30)22-15-13-21(31-3)14-16-22/h5-16,23,27H,4,17H2,1-3H3,(H,26,28)
InChIKeyFTYHFRRQBSAFQB-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.09
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43890719) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43890719
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCc1cccc(C)c1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-20-12-8-9-18(2)24(20)26-25(28)23(17-19-10-6-5-7-11-19)27-32(29,30)22-15-13-21(31-3)14-16-22/h5-16,23,27H,4,17H2,1-3H3,(H,26,28)
InChIKeyFTYHFRRQBSAFQB-UHFFFAOYSA-N
XLogP4.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide 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-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide
CID 43890790
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 28538282
(2R)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541697
(2S)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541699
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890775
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
CID 28539074
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43890719) is N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCc1cccc(C)c1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is FTYHFRRQBSAFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-20-12-8-9-18(2)24(20)26-25(28)23(17-19-10-6-5-7-11-19)27-32(29,30)22-15-13-21(31-3)14-16-22/h5-16,23,27H,4,17H2,1-3H3,(H,26,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 452.58 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43890719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).