4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide

C16H21N3O4S — CID 163202805

IUPAC4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2ccccc2S(N)(=O)=O)C1=O
InChIInChI=1S/C16H21N3O4S/c1-3-13-11(2)10-19(15(13)20)16(21)18-9-8-12-6-4-5-7-14(12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyGHWBVDLMSQNGFO-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.15
Rot. Bonds5

About 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide

4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide (PubChem CID 163202805) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide
PubChem CID163202805
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2ccccc2S(N)(=O)=O)C1=O
InChIInChI=1S/C16H21N3O4S/c1-3-13-11(2)10-19(15(13)20)16(21)18-9-8-12-6-4-5-7-14(12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyGHWBVDLMSQNGFO-UHFFFAOYSA-N
XLogP1.15
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide 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 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
The IUPAC name of 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide (CID 163202805) is 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
The canonical SMILES for 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide is CCC1=C(C)CN(C(=O)NCCc2ccccc2S(N)(=O)=O)C1=O.
What is the InChIKey of 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
The InChIKey is GHWBVDLMSQNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-13-11(2)10-19(15(13)20)16(21)18-9-8-12-6-4-5-7-14(12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23).
What are the key properties of 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 163202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).