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

C23H22N2O2S — CID 46156383

IUPAC4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NC(C)c3ccccc3)cc3sccc32)cc1
InChIInChI=1S/C23H22N2O2S/c1-16(18-6-4-3-5-7-18)24-23(26)21-14-22-20(12-13-28-22)25(21)15-17-8-10-19(27-2)11-9-17/h3-14,16H,15H2,1-2H3,(H,24,26)
InChIKeyGUMBPZMJDITSJU-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.25
Rot. Bonds6

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

4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46156383) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46156383
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NC(C)c3ccccc3)cc3sccc32)cc1
InChIInChI=1S/C23H22N2O2S/c1-16(18-6-4-3-5-7-18)24-23(26)21-14-22-20(12-13-28-22)25(21)15-17-8-10-19(27-2)11-9-17/h3-14,16H,15H2,1-2H3,(H,24,26)
InChIKeyGUMBPZMJDITSJU-UHFFFAOYSA-N
XLogP5.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 93116816
4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039034
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417
2-bromo-4-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848786

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46156383) is 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(Cn2c(C(=O)NC(C)c3ccccc3)cc3sccc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GUMBPZMJDITSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16(18-6-4-3-5-7-18)24-23(26)21-14-22-20(12-13-28-22)25(21)15-17-8-10-19(27-2)11-9-17/h3-14,16H,15H2,1-2H3,(H,24,26).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46156383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).