4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide

C19H20N2OS — CID 93324428

IUPAC4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2sccc2n1CC1CC1)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-13(15-5-3-2-4-6-15)20-19(22)17-11-18-16(9-10-23-18)21(17)12-14-7-8-14/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyWQJLOOYJPSRKQK-ZDUSSCGKSA-N
MW324.45 g/mol
LogP4.60
Rot. Bonds5

About 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide

4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 93324428) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID93324428
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2sccc2n1CC1CC1)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-13(15-5-3-2-4-6-15)20-19(22)17-11-18-16(9-10-23-18)21(17)12-14-7-8-14/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyWQJLOOYJPSRKQK-ZDUSSCGKSA-N
XLogP4.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039034
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039194
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039244
4-benzyl-3-bromo-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040335
N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 75768805
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 93116816
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 93324428) is 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is C[C@H](NC(=O)c1cc2sccc2n1CC1CC1)c1ccccc1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is WQJLOOYJPSRKQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13(15-5-3-2-4-6-15)20-19(22)17-11-18-16(9-10-23-18)21(17)12-14-7-8-14/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 93324428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).