4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide

C13H10BrN3OS — CID 60667298

IUPAC4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(Br)c[nH]2)sc2c1CCC2
InChIInChI=1S/C13H10BrN3OS/c14-7-4-10(16-6-7)12(18)17-13-9(5-15)8-2-1-3-11(8)19-13/h4,6,16H,1-3H2,(H,17,18)
InChIKeyJGWPWRDZPIAQEK-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.45
Rot. Bonds2

About 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 60667298) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID60667298
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(Br)c[nH]2)sc2c1CCC2
InChIInChI=1S/C13H10BrN3OS/c14-7-4-10(16-6-7)12(18)17-13-9(5-15)8-2-1-3-11(8)19-13/h4,6,16H,1-3H2,(H,17,18)
InChIKeyJGWPWRDZPIAQEK-UHFFFAOYSA-N
XLogP3.45
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 61258931
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
5-bromo-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 2415224
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
4-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]benzamide
CID 54791460
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789
5-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
CID 671952
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
5-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carboxamide
CID 2970338
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide (CID 60667298) is 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide is N#Cc1c(NC(=O)c2cc(Br)c[nH]2)sc2c1CCC2.
What is the InChIKey of 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is JGWPWRDZPIAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-7-4-10(16-6-7)12(18)17-13-9(5-15)8-2-1-3-11(8)19-13/h4,6,16H,1-3H2,(H,17,18).
What are the key properties of 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60667298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).