N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide

C13H20ClNO2S — CID 114168656

IUPACN-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cc(OC)cs1
InChIInChI=1S/C13H20ClNO2S/c1-4-9(5-2)11(14)7-15-13(16)12-6-10(17-3)8-18-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyLNLBQECCOQIGBP-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.53
Rot. Bonds7

About N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide

N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide (PubChem CID 114168656) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
PubChem CID114168656
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC NameN-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cc(OC)cs1
InChIInChI=1S/C13H20ClNO2S/c1-4-9(5-2)11(14)7-15-13(16)12-6-10(17-3)8-18-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyLNLBQECCOQIGBP-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide (CID 114168656) is N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide is CCC(CC)C(Cl)CNC(=O)c1cc(OC)cs1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is LNLBQECCOQIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-4-9(5-2)11(14)7-15-13(16)12-6-10(17-3)8-18-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide?
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 289.83 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 114168656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).