N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide

C12H18ClNOS — CID 106287256

IUPACN-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1ccsc1
InChIInChI=1S/C12H18ClNOS/c1-3-9(4-2)11(13)7-14-12(15)10-5-6-16-8-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyIKGBVKWGQCLURV-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.52
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide

N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide (PubChem CID 106287256) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
PubChem CID106287256
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC NameN-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1ccsc1
InChIInChI=1S/C12H18ClNOS/c1-3-9(4-2)11(13)7-14-12(15)10-5-6-16-8-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyIKGBVKWGQCLURV-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.52
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

N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
CID 106287191
N-(2-amino-2-cyclopropylethyl)thiophene-3-carboxamide
CID 115301128
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide (CID 106287256) is N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide is CCC(CC)C(Cl)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide?
The InChIKey is IKGBVKWGQCLURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-3-9(4-2)11(13)7-14-12(15)10-5-6-16-8-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide?
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide has a molecular weight of 259.80 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide is sourced from PubChem (CID 106287256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).