N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

C15H23N3O4S — CID 4018928

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCCN1CCC(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1
InChIInChI=1S/C15H23N3O4S/c1-3-18-7-6-11(10-18)9-17-15(19)13-8-12(23(16,20)21)4-5-14(13)22-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyIAGQNKXBDXVWPR-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.41
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 4018928) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID4018928
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCCN1CCC(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1
InChIInChI=1S/C15H23N3O4S/c1-3-18-7-6-11(10-18)9-17-15(19)13-8-12(23(16,20)21)4-5-14(13)22-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyIAGQNKXBDXVWPR-UHFFFAOYSA-N
XLogP0.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide 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 N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide (CID 4018928) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide is CCN1CCC(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is IAGQNKXBDXVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-18-7-6-11(10-18)9-17-15(19)13-8-12(23(16,20)21)4-5-14(13)22-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 4018928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).