4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide

C20H16ClN3O3S2 — CID 71945899

IUPAC4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H16ClN3O3S2/c21-16-4-2-1-3-13(16)12-24-17-9-10-28-19(17)11-18(24)20(25)23-14-5-7-15(8-6-14)29(22,26)27/h1-11H,12H2,(H,23,25)(H2,22,26,27)
InChIKeyKHTFGZWNNFEVAP-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.30
Rot. Bonds5

About 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide

4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 71945899) has the molecular formula C20H16ClN3O3S2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID71945899
Molecular FormulaC20H16ClN3O3S2
Molecular Weight445.95 g/mol
Exact Mass445.03
IUPAC Name4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H16ClN3O3S2/c21-16-4-2-1-3-13(16)12-24-17-9-10-28-19(17)11-18(24)20(25)23-14-5-7-15(8-6-14)29(22,26)27/h1-11H,12H2,(H,23,25)(H2,22,26,27)
InChIKeyKHTFGZWNNFEVAP-UHFFFAOYSA-N
XLogP4.30
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-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

4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 39733814
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039047
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 71945899) is 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KHTFGZWNNFEVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S2/c21-16-4-2-1-3-13(16)12-24-17-9-10-28-19(17)11-18(24)20(25)23-14-5-7-15(8-6-14)29(22,26)27/h1-11H,12H2,(H,23,25)(H2,22,26,27).
What are the key properties of 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 71945899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).