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

C13H20ClNO2S — CID 114168687

IUPACN-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1sccc1OC
InChIInChI=1S/C13H20ClNO2S/c1-4-9(5-2)10(14)8-15-13(16)12-11(17-3)6-7-18-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyJTDLSDIORXLYOO-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.53
Rot. Bonds7

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

N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide (PubChem CID 114168687) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
PubChem CID114168687
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC NameN-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1sccc1OC
InChIInChI=1S/C13H20ClNO2S/c1-4-9(5-2)10(14)8-15-13(16)12-11(17-3)6-7-18-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyJTDLSDIORXLYOO-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

methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 114758221
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 115456415
N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide (CID 114168687) is N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide is CCC(CC)C(Cl)CNC(=O)c1sccc1OC.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is JTDLSDIORXLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-4-9(5-2)10(14)8-15-13(16)12-11(17-3)6-7-18-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide?
N-(2-chloro-3-ethylpentyl)-3-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)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 114168687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).