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

C11H14ClNOS — CID 114302998

IUPACN-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1cccs1
InChIInChI=1S/C11H14ClNOS/c12-9-4-1-3-8(9)7-13-11(14)10-5-2-6-15-10/h2,5-6,8-9H,1,3-4,7H2,(H,13,14)
InChIKeyDJYLOZYQPZLOLY-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.89
Rot. Bonds3

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

N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide (PubChem CID 114302998) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
PubChem CID114302998
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1cccs1
InChIInChI=1S/C11H14ClNOS/c12-9-4-1-3-8(9)7-13-11(14)10-5-2-6-15-10/h2,5-6,8-9H,1,3-4,7H2,(H,13,14)
InChIKeyDJYLOZYQPZLOLY-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

N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 113272683
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 109400317
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide (CID 114302998) is N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide is O=C(NCC1CCCC1Cl)c1cccs1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
The InChIKey is DJYLOZYQPZLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-9-4-1-3-8(9)7-13-11(14)10-5-2-6-15-10/h2,5-6,8-9H,1,3-4,7H2,(H,13,14).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
N-[(2-chlorocyclopentyl)methyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 114302998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).