5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide

C12H15Cl2NOS — CID 114306808

IUPAC5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCC1CCl)c1ccc(Cl)s1
InChIInChI=1S/C12H15Cl2NOS/c13-6-8-2-1-3-9(8)7-15-12(16)10-4-5-11(14)17-10/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyNQKUVUOXBGXGJI-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide (PubChem CID 114306808) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
PubChem CID114306808
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCC1CCl)c1ccc(Cl)s1
InChIInChI=1S/C12H15Cl2NOS/c13-6-8-2-1-3-9(8)7-15-12(16)10-4-5-11(14)17-10/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyNQKUVUOXBGXGJI-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.79
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

2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
CID 141171022
5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 106126347
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
3-bromo-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306746
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
methyl 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylate
CID 143419901
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]thiophene-2-carboxamide
CID 146080055
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
CID 113273857
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide (CID 114306808) is 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide is O=C(NCC1CCCC1CCl)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The InChIKey is NQKUVUOXBGXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c13-6-8-2-1-3-9(8)7-15-12(16)10-4-5-11(14)17-10/h4-5,8-9H,1-3,6-7H2,(H,15,16).
What are the key properties of 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide has a molecular weight of 292.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 114306808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).