N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide

C23H32N2O3S — CID 132665209

IUPACN-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCC(NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C23H32N2O3S/c1-6-22(20-12-11-18(3)19(4)16-20)24-23(26)8-7-15-25(29(5,27)28)21-13-9-17(2)10-14-21/h9-14,16,22H,6-8,15H2,1-5H3,(H,24,26)
InChIKeyFVEJRGKTVKDWCR-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.43
Rot. Bonds9

About N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide

N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 132665209) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
PubChem CID132665209
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCC(NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C23H32N2O3S/c1-6-22(20-12-11-18(3)19(4)16-20)24-23(26)8-7-15-25(29(5,27)28)21-13-9-17(2)10-14-21/h9-14,16,22H,6-8,15H2,1-5H3,(H,24,26)
InChIKeyFVEJRGKTVKDWCR-UHFFFAOYSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide 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-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]butanamide
CID 43905927
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132669081
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132669688
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)propyl]butanamide
CID 53287778
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99130773
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 124561484

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide (CID 132665209) is N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide is CCC(NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is FVEJRGKTVKDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-6-22(20-12-11-18(3)19(4)16-20)24-23(26)8-7-15-25(29(5,27)28)21-13-9-17(2)10-14-21/h9-14,16,22H,6-8,15H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide?
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 416.59 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132665209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).