N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide

C19H23NO2S — CID 86941859

IUPACN-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C19H23NO2S/c21-19(13-18-10-5-11-23-18)20-14-15-6-4-9-17(12-15)22-16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,20,21)
InChIKeyOXSIHPPKFVGTHH-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.32
Rot. Bonds6

About N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 86941859) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID86941859
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C19H23NO2S/c21-19(13-18-10-5-11-23-18)20-14-15-6-4-9-17(12-15)22-16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,20,21)
InChIKeyOXSIHPPKFVGTHH-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 86783847
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
CID 166213239

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide (CID 86941859) is N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cccc(OC2CCCCC2)c1.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is OXSIHPPKFVGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-19(13-18-10-5-11-23-18)20-14-15-6-4-9-17(12-15)22-16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,20,21).
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 329.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 86941859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).