6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide

C23H22N2O2S — CID 93116816

IUPAC6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)N[C@@H](C)c3ccccc3)cc3ccsc32)c1
InChIInChI=1S/C23H22N2O2S/c1-16(18-8-4-3-5-9-18)24-22(26)21-14-19-11-12-28-23(19)25(21)15-17-7-6-10-20(13-17)27-2/h3-14,16H,15H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyVICORQFZDYYTOU-INIZCTEOSA-N
MW390.51 g/mol
LogP5.25
Rot. Bonds6

About 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide

6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 93116816) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID93116816
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)N[C@@H](C)c3ccccc3)cc3ccsc32)c1
InChIInChI=1S/C23H22N2O2S/c1-16(18-8-4-3-5-9-18)24-22(26)21-14-19-11-12-28-23(19)25(21)15-17-7-6-10-20(13-17)27-2/h3-14,16H,15H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyVICORQFZDYYTOU-INIZCTEOSA-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-[(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
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50831083
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797250
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159415
4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46004459
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
4-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N,N,2-trimethylpiperazine-1-carboxamide
CID 42797395

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide (CID 93116816) is 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide is COc1cccc(Cn2c(C(=O)N[C@@H](C)c3ccccc3)cc3ccsc32)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is VICORQFZDYYTOU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16(18-8-4-3-5-9-18)24-22(26)21-14-19-11-12-28-23(19)25(21)15-17-7-6-10-20(13-17)27-2/h3-14,16H,15H2,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide?
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-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 6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 93116816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).