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

C10H9ClN2OS — CID 3568544

IUPAC2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CCl)sc2c1CCC2
InChIInChI=1S/C10H9ClN2OS/c11-4-9(14)13-10-7(5-12)6-2-1-3-8(6)15-10/h1-4H2,(H,13,14)
InChIKeyIFPYPHZLEFBRSS-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.29
Rot. Bonds2

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

2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide (PubChem CID 3568544) has the molecular formula C10H9ClN2OS and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
PubChem CID3568544
Molecular FormulaC10H9ClN2OS
Molecular Weight240.71 g/mol
Exact Mass240.01
IUPAC Name2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CCl)sc2c1CCC2
InChIInChI=1S/C10H9ClN2OS/c11-4-9(14)13-10-7(5-12)6-2-1-3-8(6)15-10/h1-4H2,(H,13,14)
InChIKeyIFPYPHZLEFBRSS-UHFFFAOYSA-N
XLogP2.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 676904
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 1992011
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 1714004
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-piperidin-1-ylacetamide
CID 705148
2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
CID 1245387
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pivalamide
CID 4016005
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
CID 3154707
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 1572815
2-chloro-N-(3,5-dicyano-4-methylthiophen-2-yl)acetamide
CID 2427273
2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide
CID 3822593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide (CID 3568544) is 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide is N#Cc1c(NC(=O)CCl)sc2c1CCC2.
What is the InChIKey of 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The InChIKey is IFPYPHZLEFBRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-4-9(14)13-10-7(5-12)6-2-1-3-8(6)15-10/h1-4H2,(H,13,14).
What are the key properties of 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide has a molecular weight of 240.71 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide is sourced from PubChem (CID 3568544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).