[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

C13H13N3O6S2 — CID 27936391

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C13H13N3O6S2/c1-16-4-2-3-9(16)12(18)15-10(17)6-22-13(19)8-5-11(23-7-8)24(14,20)21/h2-5,7H,6H2,1H3,(H2,14,20,21)(H,15,17,18)
InChIKeyLSMAGDRAKBAGBN-UHFFFAOYSA-N
MW371.40 g/mol
LogP-0.15
Rot. Bonds5

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 27936391) has the molecular formula C13H13N3O6S2 and a molecular weight of 371.40 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID27936391
Molecular FormulaC13H13N3O6S2
Molecular Weight371.40 g/mol
Exact Mass371.02
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C13H13N3O6S2/c1-16-4-2-3-9(16)12(18)15-10(17)6-22-13(19)8-5-11(23-7-8)24(14,20)21/h2-5,7H,6H2,1H3,(H2,14,20,21)(H,15,17,18)
InChIKeyLSMAGDRAKBAGBN-UHFFFAOYSA-N
XLogP-0.15
TPSA137.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate 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

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16543101
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 2642856
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-nitrobenzoate
CID 7866067
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665575
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210667
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359007
[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936183
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2473456

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (CID 27936391) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is Cn1cccc1C(=O)NC(=O)COC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is LSMAGDRAKBAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O6S2/c1-16-4-2-3-9(16)12(18)15-10(17)6-22-13(19)8-5-11(23-7-8)24(14,20)21/h2-5,7H,6H2,1H3,(H2,14,20,21)(H,15,17,18).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 371.40 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 27936391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).