6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide

C21H18FN3OS — CID 7356221

IUPAC6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2ccsc2n1Cc1ccccc1F
InChIInChI=1S/C21H18FN3OS/c22-18-7-2-1-5-16(18)14-25-19(13-15-9-12-27-21(15)25)20(26)24-11-8-17-6-3-4-10-23-17/h1-7,9-10,12-13H,8,11,14H2,(H,24,26)
InChIKeyCDTBRMYYFZYDFP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.26
Rot. Bonds6

About 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide

6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 7356221) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID7356221
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2ccsc2n1Cc1ccccc1F
InChIInChI=1S/C21H18FN3OS/c22-18-7-2-1-5-16(18)14-25-19(13-15-9-12-27-21(15)25)20(26)24-11-8-17-6-3-4-10-23-17/h1-7,9-10,12-13H,8,11,14H2,(H,24,26)
InChIKeyCDTBRMYYFZYDFP-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038876
6-(1-phenylethyl)-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797254
6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7306888
6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 4131807
4-[(2-fluorophenyl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791219
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
3-bromo-4-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040322
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 86802352
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 11543968

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide (CID 7356221) is 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide is O=C(NCCc1ccccn1)c1cc2ccsc2n1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is CDTBRMYYFZYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c22-18-7-2-1-5-16(18)14-25-19(13-15-9-12-27-21(15)25)20(26)24-11-8-17-6-3-4-10-23-17/h1-7,9-10,12-13H,8,11,14H2,(H,24,26).
What are the key properties of 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7356221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).