4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide

C17H18N2OS — CID 46039431

IUPAC4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-3-18-17(20)15-10-16-14(9-12(2)21-16)19(15)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyGOWBFMNPDRHPHX-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.81
Rot. Bonds4

About 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039431) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039431
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-3-18-17(20)15-10-16-14(9-12(2)21-16)19(15)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyGOWBFMNPDRHPHX-UHFFFAOYSA-N
XLogP3.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039675
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
2-methyl-4-[(3-nitrophenyl)methyl]-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848711
N,4-dibenzyl-2-bromothieno[3,2-b]pyrrole-5-carboxamide
CID 46039899
2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 46038790
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-[(4-tert-butylphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039523
4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848734
4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 46039431) is 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide is CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GOWBFMNPDRHPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-18-17(20)15-10-16-14(9-12(2)21-16)19(15)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).