3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide

C18H30N2O3S — CID 91356511

IUPAC3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide
SMILESCCCCN(CC)S(=O)(=O)CCC(=O)NCc1cccc(CC)c1
InChIInChI=1S/C18H30N2O3S/c1-4-7-12-20(6-3)24(22,23)13-11-18(21)19-15-17-10-8-9-16(5-2)14-17/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,19,21)
InChIKeyKBUOPVYUBKCHNQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.71
Rot. Bonds11

About 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide

3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide (PubChem CID 91356511) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide
PubChem CID91356511
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide
SMILESCCCCN(CC)S(=O)(=O)CCC(=O)NCc1cccc(CC)c1
InChIInChI=1S/C18H30N2O3S/c1-4-7-12-20(6-3)24(22,23)13-11-18(21)19-15-17-10-8-9-16(5-2)14-17/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,19,21)
InChIKeyKBUOPVYUBKCHNQ-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide?
The IUPAC name of 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide (CID 91356511) is 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide?
The canonical SMILES for 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide is CCCCN(CC)S(=O)(=O)CCC(=O)NCc1cccc(CC)c1.
What is the InChIKey of 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide?
The InChIKey is KBUOPVYUBKCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-4-7-12-20(6-3)24(22,23)13-11-18(21)19-15-17-10-8-9-16(5-2)14-17/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,19,21).
What are the key properties of 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide?
3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide has a molecular weight of 354.52 g/mol, XLogP of 2.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)sulfamoyl]-N-[(3-ethylphenyl)methyl]propanamide is sourced from PubChem (CID 91356511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).