5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide

C12H17ClN2OS — CID 79110894

IUPAC5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
SMILESCNC1CCC(NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2OS/c1-14-8-2-4-9(5-3-8)15-12(16)10-6-7-11(13)17-10/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyQZGDKNNVNDXLKK-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.66
Rot. Bonds3

About 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide

5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide (PubChem CID 79110894) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
PubChem CID79110894
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
SMILESCNC1CCC(NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2OS/c1-14-8-2-4-9(5-3-8)15-12(16)10-6-7-11(13)17-10/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyQZGDKNNVNDXLKK-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 97040090
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
N-cyclopropyl-5-formylthiophene-2-carboxamide
CID 118380717

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide (CID 79110894) is 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide is CNC1CCC(NC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is QZGDKNNVNDXLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-14-8-2-4-9(5-3-8)15-12(16)10-6-7-11(13)17-10/h6-9,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 79110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).