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

C23H22N2OS — CID 42797250

IUPACN,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2ccsc2n1C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2OS/c1-16(18-9-5-3-6-10-18)24-22(26)21-15-20-13-14-27-23(20)25(21)17(2)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,24,26)
InChIKeyIQKOROKARFAEPD-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.80
Rot. Bonds5

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

N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797250) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID42797250
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2ccsc2n1C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2OS/c1-16(18-9-5-3-6-10-18)24-22(26)21-15-20-13-14-27-23(20)25(21)17(2)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,24,26)
InChIKeyIQKOROKARFAEPD-UHFFFAOYSA-N
XLogP5.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42797249
6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7306888
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 93116816
1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7216984
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
2,2-dimethyl-1-[(2R)-2-methyl-4-[6-[(1R)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperazin-1-yl]propan-1-one
CID 93117088
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039034

Frequently Asked Questions

What is the IUPAC name of N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide (CID 42797250) is N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide is CC(NC(=O)c1cc2ccsc2n1C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is IQKOROKARFAEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-16(18-9-5-3-6-10-18)24-22(26)21-15-20-13-14-27-23(20)25(21)17(2)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,24,26).
What are the key properties of N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).