4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

C19H20N2O2S — CID 42848744

IUPAC4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1OC
InChIInChI=1S/C19H20N2O2S/c1-4-9-20-19(22)16-11-18-15(10-13(2)24-18)21(16)12-14-7-5-6-8-17(14)23-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,22)
InChIKeyUJNPRDNRYBMNKF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.98
Rot. Bonds6

About 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42848744) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42848744
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1OC
InChIInChI=1S/C19H20N2O2S/c1-4-9-20-19(22)16-11-18-15(10-13(2)24-18)21(16)12-14-7-5-6-8-17(14)23-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,22)
InChIKeyUJNPRDNRYBMNKF-UHFFFAOYSA-N
XLogP3.98
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-methoxyphenyl)methyl]-2-methyl-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-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327476
4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46156458
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039574
2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46052279
2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 46040159
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848734
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259
2-methyl-4-prop-2-enyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848666
3-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040544
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (CID 42848744) is 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is C=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1OC.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UJNPRDNRYBMNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-9-20-19(22)16-11-18-15(10-13(2)24-18)21(16)12-14-7-5-6-8-17(14)23-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,22).
What are the key properties of 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42848744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).