N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

C23H25NO3S — CID 134955289

IUPACN-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H25NO3S/c1-18-12-15-20(16-13-18)28(25,26)24-22(17-14-19-8-4-3-5-9-19)21-10-6-7-11-23(21)27-2/h3-13,15-16,22,24H,14,17H2,1-2H3/t22-/m1/s1
InChIKeyMKBHPMXOGFELBI-JOCHJYFZSA-N
MW395.52 g/mol
LogP4.66
Rot. Bonds8

About N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 134955289) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID134955289
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H25NO3S/c1-18-12-15-20(16-13-18)28(25,26)24-22(17-14-19-8-4-3-5-9-19)21-10-6-7-11-23(21)27-2/h3-13,15-16,22,24H,14,17H2,1-2H3/t22-/m1/s1
InChIKeyMKBHPMXOGFELBI-JOCHJYFZSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide 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

4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 135061696
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
CID 171485855
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide (CID 134955289) is N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide is COc1ccccc1[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is MKBHPMXOGFELBI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-18-12-15-20(16-13-18)28(25,26)24-22(17-14-19-8-4-3-5-9-19)21-10-6-7-11-23(21)27-2/h3-13,15-16,22,24H,14,17H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134955289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).