N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide

C13H19ClN2OS — CID 79116342

IUPACN-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)C1CCC(N)CC1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(10-5-3-9(15)4-6-10)13(17)11-7-8-12(14)18-11/h7-10H,2-6,15H2,1H3
InChIKeyWCOOAIMMJGEKIH-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.13
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide

N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide (PubChem CID 79116342) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
PubChem CID79116342
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)C1CCC(N)CC1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(10-5-3-9(15)4-6-10)13(17)11-7-8-12(14)18-11/h7-10H,2-6,15H2,1H3
InChIKeyWCOOAIMMJGEKIH-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
CID 60845442
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
N-(4-aminocyclohexyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 79116022
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
CID 79115334
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
CID 107990592
N-(4-aminocyclohexyl)-N-ethyl-3-hydroxypyridine-2-carboxamide
CID 79115604

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide (CID 79116342) is N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1ccc(Cl)s1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide?
The InChIKey is WCOOAIMMJGEKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-16(10-5-3-9(15)4-6-10)13(17)11-7-8-12(14)18-11/h7-10H,2-6,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide?
N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79116342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).