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

C15H13N3OS — CID 61116925

IUPAC4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccc(N)cc2)sc2c1CCC2
InChIInChI=1S/C15H13N3OS/c16-8-12-11-2-1-3-13(11)20-15(12)18-14(19)9-4-6-10(17)7-5-9/h4-7H,1-3,17H2,(H,18,19)
InChIKeyQVBRAWUIRBZOBB-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.94
Rot. Bonds2

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

4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide (PubChem CID 61116925) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
PubChem CID61116925
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccc(N)cc2)sc2c1CCC2
InChIInChI=1S/C15H13N3OS/c16-8-12-11-2-1-3-13(11)20-15(12)18-14(19)9-4-6-10(17)7-5-9/h4-7H,1-3,17H2,(H,18,19)
InChIKeyQVBRAWUIRBZOBB-UHFFFAOYSA-N
XLogP2.94
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789
5-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylbenzamide
CID 61289852
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 802900
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
CID 3137737
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide
CID 3353734
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474592
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 61258931

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The IUPAC name of 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide (CID 61116925) is 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide.
What is the SMILES notation for 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The canonical SMILES for 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide is N#Cc1c(NC(=O)c2ccc(N)cc2)sc2c1CCC2.
What is the InChIKey of 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The InChIKey is QVBRAWUIRBZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-8-12-11-2-1-3-13(11)20-15(12)18-14(19)9-4-6-10(17)7-5-9/h4-7H,1-3,17H2,(H,18,19).
What are the key properties of 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide has a molecular weight of 283.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide is sourced from PubChem (CID 61116925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).