2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide

C25H28N2O4S — CID 43900475

IUPAC2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-23(20-11-7-5-8-12-20)26-25(28)18-27(21-13-9-6-10-14-21)32(29,30)22-15-16-24(31-3)19(2)17-22/h5-17,23H,4,18H2,1-3H3,(H,26,28)
InChIKeyQWDJYUYWMSYOJH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.47
Rot. Bonds9

About 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide

2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 43900475) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
PubChem CID43900475
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-23(20-11-7-5-8-12-20)26-25(28)18-27(21-13-9-6-10-14-21)32(29,30)22-15-16-24(31-3)19(2)17-22/h5-17,23H,4,18H2,1-3H3,(H,26,28)
InChIKeyQWDJYUYWMSYOJH-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-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)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38014275
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 92647383
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide
CID 53280344
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 125057942
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 100754383
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100557386
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133210176
N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 43900174
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
CID 43902119

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide (CID 43900475) is 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1)c1ccccc1.
What is the InChIKey of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is QWDJYUYWMSYOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-23(20-11-7-5-8-12-20)26-25(28)18-27(21-13-9-6-10-14-21)32(29,30)22-15-16-24(31-3)19(2)17-22/h5-17,23H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide?
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 43900475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).