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

C11H13Cl2NOS — CID 106126347

IUPAC5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H13Cl2NOS/c12-8-2-1-7(5-8)6-14-11(15)9-3-4-10(13)16-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyLTUQUKLAYIAQRV-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.54
Rot. Bonds3

About 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide

5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide (PubChem CID 106126347) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
PubChem CID106126347
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H13Cl2NOS/c12-8-2-1-7(5-8)6-14-11(15)9-3-4-10(13)16-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyLTUQUKLAYIAQRV-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.54
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

methyl 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylate
CID 143419901
N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106126739
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306808
3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
CID 141171022
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide (CID 106126347) is 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide is O=C(NCC1CCC(Cl)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
The InChIKey is LTUQUKLAYIAQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c12-8-2-1-7(5-8)6-14-11(15)9-3-4-10(13)16-9/h3-4,7-8H,1-2,5-6H2,(H,14,15).
What are the key properties of 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide has a molecular weight of 278.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 106126347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).