2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

C26H30N2O4S — CID 28576788

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-25(21-12-15-23(32-4)16-13-21)27-26(29)18-28(22-14-11-19(2)20(3)17-22)33(30,31)24-9-7-6-8-10-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)/t25-/m1/s1
InChIKeySRDWQVGBZHHZEJ-RUZDIDTESA-N
MW466.60 g/mol
LogP4.77
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 28576788) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID28576788
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-25(21-12-15-23(32-4)16-13-21)27-26(29)18-28(22-14-11-19(2)20(3)17-22)33(30,31)24-9-7-6-8-10-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)/t25-/m1/s1
InChIKeySRDWQVGBZHHZEJ-RUZDIDTESA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]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-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30252296
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30175779
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894556
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
CID 43902119
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30199967
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92682522
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (CID 28576788) is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is SRDWQVGBZHHZEJ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-5-25(21-12-15-23(32-4)16-13-21)27-26(29)18-28(22-14-11-19(2)20(3)17-22)33(30,31)24-9-7-6-8-10-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)/t25-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 28576788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).