2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C20H29NO2S — CID 24869731

IUPAC2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(CC1CCCCC1)C1CCCCC1C(=O)NCc1cccs1
InChIInChI=1S/C20H29NO2S/c22-19(13-15-7-2-1-3-8-15)17-10-4-5-11-18(17)20(23)21-14-16-9-6-12-24-16/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14H2,(H,21,23)
InChIKeyQKVFJUUINCZEHU-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.71
Rot. Bonds6

About 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 24869731) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID24869731
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(CC1CCCCC1)C1CCCCC1C(=O)NCc1cccs1
InChIInChI=1S/C20H29NO2S/c22-19(13-15-7-2-1-3-8-15)17-10-4-5-11-18(17)20(23)21-14-16-9-6-12-24-16/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14H2,(H,21,23)
InChIKeyQKVFJUUINCZEHU-UHFFFAOYSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47027615
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N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
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1-cyclohexyl-4-thiophen-2-ylbutan-2-one
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2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
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CID 81123819
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N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 24869731) is 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is O=C(CC1CCCCC1)C1CCCCC1C(=O)NCc1cccs1.
What is the InChIKey of 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is QKVFJUUINCZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c22-19(13-15-7-2-1-3-8-15)17-10-4-5-11-18(17)20(23)21-14-16-9-6-12-24-16/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14H2,(H,21,23).
What are the key properties of 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 347.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 24869731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).