3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide

C10H11ClN2OS — CID 80645274

IUPAC3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
SMILESN#CCCCCNC(=O)c1sccc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-8-4-7-15-9(8)10(14)13-6-3-1-2-5-12/h4,7H,1-3,6H2,(H,13,14)
InChIKeyKAGPJFFBGNLKTG-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.83
Rot. Bonds5

About 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide

3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide (PubChem CID 80645274) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
PubChem CID80645274
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
SMILESN#CCCCCNC(=O)c1sccc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-8-4-7-15-9(8)10(14)13-6-3-1-2-5-12/h4,7H,1-3,6H2,(H,13,14)
InChIKeyKAGPJFFBGNLKTG-UHFFFAOYSA-N
XLogP2.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,4-dichloro-N-(8-cyanooctyl)-1,2-thiazole-5-carboxamide
CID 70165680
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide (CID 80645274) is 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide is N#CCCCCNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide?
The InChIKey is KAGPJFFBGNLKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-8-4-7-15-9(8)10(14)13-6-3-1-2-5-12/h4,7H,1-3,6H2,(H,13,14).
What are the key properties of 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide?
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide has a molecular weight of 242.73 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide is sourced from PubChem (CID 80645274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).