2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide

C19H23NOS — CID 46565052

IUPAC2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C19H23NOS/c21-18(14-15-8-3-1-4-9-15)20-19(17-12-7-13-22-17)16-10-5-2-6-11-16/h2,5-7,10-13,15,19H,1,3-4,8-9,14H2,(H,20,21)
InChIKeyZAWJEEHIBDFFJZ-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.92
Rot. Bonds5

About 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 46565052) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID46565052
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C19H23NOS/c21-18(14-15-8-3-1-4-9-15)20-19(17-12-7-13-22-17)16-10-5-2-6-11-16/h2,5-7,10-13,15,19H,1,3-4,8-9,14H2,(H,20,21)
InChIKeyZAWJEEHIBDFFJZ-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
CID 8557506
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11929318
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate
CID 9017878
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 46565052) is 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide is O=C(CC1CCCCC1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is ZAWJEEHIBDFFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c21-18(14-15-8-3-1-4-9-15)20-19(17-12-7-13-22-17)16-10-5-2-6-11-16/h2,5-7,10-13,15,19H,1,3-4,8-9,14H2,(H,20,21).
What are the key properties of 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 46565052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).