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

C22H21N3OS — CID 7306888

IUPAC6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(C(=O)NCCc2ccccn2)cc2ccsc21
InChIInChI=1S/C22H21N3OS/c1-16(17-7-3-2-4-8-17)25-20(15-18-11-14-27-22(18)25)21(26)24-13-10-19-9-5-6-12-23-19/h2-9,11-12,14-16H,10,13H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeySVCOYUHTWHXYJJ-INIZCTEOSA-N
MW375.50 g/mol
LogP4.68
Rot. Bonds6

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

6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 7306888) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID7306888
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(C(=O)NCCc2ccccn2)cc2ccsc21
InChIInChI=1S/C22H21N3OS/c1-16(17-7-3-2-4-8-17)25-20(15-18-11-14-27-22(18)25)21(26)24-13-10-19-9-5-6-12-23-19/h2-9,11-12,14-16H,10,13H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeySVCOYUHTWHXYJJ-INIZCTEOSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

6-(1-phenylethyl)-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797254
6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7356221
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
CID 142418210
[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42797249
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-methyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 39897614
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425
1-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838473
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide (CID 7306888) is 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide is C[C@@H](c1ccccc1)n1c(C(=O)NCCc2ccccn2)cc2ccsc21.
What is the InChIKey of 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is SVCOYUHTWHXYJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-16(17-7-3-2-4-8-17)25-20(15-18-11-14-27-22(18)25)21(26)24-13-10-19-9-5-6-12-23-19/h2-9,11-12,14-16H,10,13H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7306888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).