N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide

C11H14ClNOS — CID 114303164

IUPACN-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccsc1
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-8(10)6-13-11(14)9-4-5-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,14)
InChIKeyCSWLNCZZWYBSEW-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.89
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide

N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide (PubChem CID 114303164) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
PubChem CID114303164
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccsc1
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-8(10)6-13-11(14)9-4-5-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,14)
InChIKeyCSWLNCZZWYBSEW-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide (CID 114303164) is N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide is O=C(NCC1CCCC1Cl)c1ccsc1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide?
The InChIKey is CSWLNCZZWYBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-3-1-2-8(10)6-13-11(14)9-4-5-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,14).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide?
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide has a molecular weight of 243.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 114303164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).