4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

C17H16N2OS — CID 3225128

IUPAC4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCNC(=O)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h2-8,10-11H,1,9,12H2,(H,18,20)
InChIKeyUYXGNZGIRJJZHF-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.67
Rot. Bonds5

About 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225128) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225128
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCNC(=O)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h2-8,10-11H,1,9,12H2,(H,18,20)
InChIKeyUYXGNZGIRJJZHF-UHFFFAOYSA-N
XLogP3.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-benzyl-N-prop-2-enylthieno[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-[(3-fluorophenyl)methyl]-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039079
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 51048620
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (CID 3225128) is 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is C=CCNC(=O)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UYXGNZGIRJJZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h2-8,10-11H,1,9,12H2,(H,18,20).
What are the key properties of 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).