2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C18H27NO2S — CID 90610659

IUPAC2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H27NO2S/c20-18(13-15-5-2-1-3-6-15)19(14-17-7-4-12-22-17)16-8-10-21-11-9-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2
InChIKeyYOIYHCVRNJYETC-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.23
Rot. Bonds5

About 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 90610659) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID90610659
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H27NO2S/c20-18(13-15-5-2-1-3-6-15)19(14-17-7-4-12-22-17)16-8-10-21-11-9-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2
InChIKeyYOIYHCVRNJYETC-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 73167808

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 90610659) is 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1CCCCC1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YOIYHCVRNJYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c20-18(13-15-5-2-1-3-6-15)19(14-17-7-4-12-22-17)16-8-10-21-11-9-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2.
What are the key properties of 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 321.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 90610659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).