3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide

C11H15Cl2NOS — CID 103406170

IUPAC3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
SMILESCCN(CCCCl)C(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-14(6-4-5-12)11(15)10-9(13)8(2)7-16-10/h7H,3-6H2,1-2H3
InChIKeyQJPOOVHIEYYACU-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.80
Rot. Bonds5

About 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide

3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 103406170) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
PubChem CID103406170
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
SMILESCCN(CCCCl)C(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-14(6-4-5-12)11(15)10-9(13)8(2)7-16-10/h7H,3-6H2,1-2H3
InChIKeyQJPOOVHIEYYACU-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-chloro-N-(2-chloroethyl)-4-methylthiophene-2-carboxamide
CID 103405838
N-(2-bromoethyl)-N-butyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405901
methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate
CID 103403990
N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
CID 103399805
4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 103399966
3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 103406176
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
CID 103403343
3-chloro-N-ethyl-4-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]thiophene-2-carboxamide
CID 164637014
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
CID 107673175
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide (CID 103406170) is 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide is CCN(CCCCl)C(=O)c1scc(C)c1Cl.
What is the InChIKey of 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is QJPOOVHIEYYACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-3-14(6-4-5-12)11(15)10-9(13)8(2)7-16-10/h7H,3-6H2,1-2H3.
What are the key properties of 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide?
3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 280.22 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103406170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).