N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide

C13H20ClNOS — CID 107847091

IUPACN-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCCCCCl)s1
InChIInChI=1S/C13H20ClNOS/c1-2-11-7-8-12(17-11)13(16)15-10-6-4-3-5-9-14/h7-8H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyZEMHGXVQXSSMJD-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.84
Rot. Bonds8

About N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide

N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide (PubChem CID 107847091) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
PubChem CID107847091
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC NameN-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCCCCCl)s1
InChIInChI=1S/C13H20ClNOS/c1-2-11-7-8-12(17-11)13(16)15-10-6-4-3-5-9-14/h7-8H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyZEMHGXVQXSSMJD-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
4-[(5-ethylthiophene-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001322
N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide
CID 107157520
N-(4-bromo-2,2-dimethylbutyl)-5-ethylthiophene-2-carboxamide
CID 106143771
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide (CID 107847091) is N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCCCCCCCl)s1.
What is the InChIKey of N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is ZEMHGXVQXSSMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-2-11-7-8-12(17-11)13(16)15-10-6-4-3-5-9-14/h7-8H,2-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide?
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 273.83 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 107847091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).