1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide

C12H19N3O4S2 — CID 114612520

IUPAC1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C12H19N3O4S2/c1-2-15-8-10(21(13,18)19)7-11(15)12(16)14-9-3-5-20(17)6-4-9/h7-9H,2-6H2,1H3,(H,14,16)(H2,13,18,19)
InChIKeyISZRYTYSLKGBEO-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.20
Rot. Bonds4

About 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide

1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612520) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612520
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C12H19N3O4S2/c1-2-15-8-10(21(13,18)19)7-11(15)12(16)14-9-3-5-20(17)6-4-9/h7-9H,2-6H2,1H3,(H,14,16)(H2,13,18,19)
InChIKeyISZRYTYSLKGBEO-UHFFFAOYSA-N
XLogP-0.20
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide 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-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60739481
cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612676
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 115886717
2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 104599733
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide (CID 114612520) is 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide is CCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCS(=O)CC1.
What is the InChIKey of 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is ISZRYTYSLKGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-2-15-8-10(21(13,18)19)7-11(15)12(16)14-9-3-5-20(17)6-4-9/h7-9H,2-6H2,1H3,(H,14,16)(H2,13,18,19).
What are the key properties of 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide?
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).