4,5-dichloro-N-pentylthiophene-2-carboxamide

C10H13Cl2NOS — CID 110190675

IUPAC4,5-dichloro-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C10H13Cl2NOS/c1-2-3-4-5-13-10(14)8-6-7(11)9(12)15-8/h6H,2-5H2,1H3,(H,13,14)
InChIKeyUWQPUVJYLSIAAE-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.97
Rot. Bonds5

About 4,5-dichloro-N-pentylthiophene-2-carboxamide

4,5-dichloro-N-pentylthiophene-2-carboxamide (PubChem CID 110190675) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is 4,5-dichloro-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-pentylthiophene-2-carboxamide
PubChem CID110190675
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name4,5-dichloro-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C10H13Cl2NOS/c1-2-3-4-5-13-10(14)8-6-7(11)9(12)15-8/h6H,2-5H2,1H3,(H,13,14)
InChIKeyUWQPUVJYLSIAAE-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dichlorothiophene-2-carboxylate;dodecylazanium
CID 110190547
4,5-dichlorothiophene-2-carboxylate;octylazanium
CID 110190536
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
2-chloro-N-undecylbenzamide
CID 3373978
2,4-dichloro-N-nonylbenzamide
CID 3596264
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-pentylthiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-pentylthiophene-2-carboxamide (CID 110190675) is 4,5-dichloro-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-pentylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-pentylthiophene-2-carboxamide is CCCCCNC(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-pentylthiophene-2-carboxamide?
The InChIKey is UWQPUVJYLSIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-2-3-4-5-13-10(14)8-6-7(11)9(12)15-8/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 4,5-dichloro-N-pentylthiophene-2-carboxamide?
4,5-dichloro-N-pentylthiophene-2-carboxamide has a molecular weight of 266.19 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 110190675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).