N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide

C19H23NO3S — CID 4825022

IUPACN-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)cc1
InChIInChI=1S/C19H23NO3S/c1-15(17-8-9-17)20(14-16-6-4-3-5-7-16)24(21,22)19-12-10-18(23-2)11-13-19/h3-7,10-13,15,17H,8-9,14H2,1-2H3
InChIKeyFLUDVTBZYREPQC-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide

N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide (PubChem CID 4825022) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
PubChem CID4825022
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)cc1
InChIInChI=1S/C19H23NO3S/c1-15(17-8-9-17)20(14-16-6-4-3-5-7-16)24(21,22)19-12-10-18(23-2)11-13-19/h3-7,10-13,15,17H,8-9,14H2,1-2H3
InChIKeyFLUDVTBZYREPQC-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide 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-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
CID 51926702
N-[(1S)-1-cyclopropylethyl]-N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 38879031
4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 43063392
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide
CID 74633975
N-benzyl-N-(1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 74614197
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
CID 51169070
4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide (CID 4825022) is N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)cc1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide?
The InChIKey is FLUDVTBZYREPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(17-8-9-17)20(14-16-6-4-3-5-7-16)24(21,22)19-12-10-18(23-2)11-13-19/h3-7,10-13,15,17H,8-9,14H2,1-2H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide?
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4825022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).