4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide

C18H23NO3S — CID 46764694

IUPAC4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3S/c1-14(2)13-18(15-7-5-4-6-8-15)19-23(20,21)17-11-9-16(22-3)10-12-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyLVXBDJUCVQWWER-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.76
Rot. Bonds7

About 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide

4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide (PubChem CID 46764694) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
PubChem CID46764694
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3S/c1-14(2)13-18(15-7-5-4-6-8-15)19-23(20,21)17-11-9-16(22-3)10-12-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyLVXBDJUCVQWWER-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide 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

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 28575587
N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
CID 134879610
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide (CID 46764694) is 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
The InChIKey is LVXBDJUCVQWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14(2)13-18(15-7-5-4-6-8-15)19-23(20,21)17-11-9-16(22-3)10-12-17/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide?
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 46764694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).