5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide

C13H17Cl2NOS — CID 55185888

IUPAC5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H17Cl2NOS/c14-8-9-16(10-4-2-1-3-5-10)13(17)11-6-7-12(15)18-11/h6-7,10H,1-5,8-9H2
InChIKeyAAWUHJMZZLJUIE-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.42
Rot. Bonds4

About 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide

5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide (PubChem CID 55185888) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
PubChem CID55185888
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H17Cl2NOS/c14-8-9-16(10-4-2-1-3-5-10)13(17)11-6-7-12(15)18-11/h6-7,10H,1-5,8-9H2
InChIKeyAAWUHJMZZLJUIE-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.42
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

3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
CID 60845442
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CID 77044861
N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
CID 63394341
N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
CID 65238018
5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 119103011
N-(2-chloroethyl)-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63391752
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CID 104974058
N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 79116342
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
CID 80659510
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide (CID 55185888) is 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(CCCl)C1CCCCC1.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide?
The InChIKey is AAWUHJMZZLJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c14-8-9-16(10-4-2-1-3-5-10)13(17)11-6-7-12(15)18-11/h6-7,10H,1-5,8-9H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide?
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide has a molecular weight of 306.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide is sourced from PubChem (CID 55185888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).