N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide

C15H12N2OS — CID 792994

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2)sc2c1CCC2
InChIInChI=1S/C15H12N2OS/c16-9-12-11-7-4-8-13(11)19-15(12)17-14(18)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H,17,18)
InChIKeyFQJZYDMXWOHAEP-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.36
Rot. Bonds2

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide (PubChem CID 792994) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
PubChem CID792994
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2)sc2c1CCC2
InChIInChI=1S/C15H12N2OS/c16-9-12-11-7-4-8-13(11)19-15(12)17-14(18)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H,17,18)
InChIKeyFQJZYDMXWOHAEP-UHFFFAOYSA-N
XLogP3.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
CID 766948
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide
CID 755421
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
CID 796265
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
CID 684674
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-fluorobenzamide
CID 579429
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,4-dimethylbenzamide
CID 903093
N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3-methylbenzamide
CID 1225299

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide (CID 792994) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide is N#Cc1c(NC(=O)c2ccccc2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The InChIKey is FQJZYDMXWOHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-9-12-11-7-4-8-13(11)19-15(12)17-14(18)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H,17,18).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide has a molecular weight of 268.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide is sourced from PubChem (CID 792994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).