2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H21N3O2S — CID 67516593

IUPAC2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COC1CCCCC1)N(Cc1cccs1)c1ccn[nH]1
InChIInChI=1S/C16H21N3O2S/c20-16(12-21-13-5-2-1-3-6-13)19(15-8-9-17-18-15)11-14-7-4-10-22-14/h4,7-10,13H,1-3,5-6,11-12H2,(H,17,18)
InChIKeyCCKGNBRMCNFAGM-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.35
Rot. Bonds6

About 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67516593) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67516593
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COC1CCCCC1)N(Cc1cccs1)c1ccn[nH]1
InChIInChI=1S/C16H21N3O2S/c20-16(12-21-13-5-2-1-3-6-13)19(15-8-9-17-18-15)11-14-7-4-10-22-14/h4,7-10,13H,1-3,5-6,11-12H2,(H,17,18)
InChIKeyCCKGNBRMCNFAGM-UHFFFAOYSA-N
XLogP3.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 90227756
N-methyl-2-piperidin-4-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 63876359
N-ethyl-2-(4-methylcyclohexyl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 90228031
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 1437713
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118
N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 25317957
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124955122
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-(6-aminosulfanylcyclohepta-1,6-dien-1-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 137426755
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 67516593) is 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(COC1CCCCC1)N(Cc1cccs1)c1ccn[nH]1.
What is the InChIKey of 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CCKGNBRMCNFAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-16(12-21-13-5-2-1-3-6-13)19(15-8-9-17-18-15)11-14-7-4-10-22-14/h4,7-10,13H,1-3,5-6,11-12H2,(H,17,18).
What are the key properties of 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67516593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).