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

C12H17NO2S — CID 90610647

IUPACN-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C12H17NO2S/c1-10(14)13(9-12-3-2-8-16-12)11-4-6-15-7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyKJVHZIHADYBSQC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds3

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

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 90610647) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID90610647
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C12H17NO2S/c1-10(14)13(9-12-3-2-8-16-12)11-4-6-15-7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyKJVHZIHADYBSQC-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
CID 73167804
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 90610647) is N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is CC(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KJVHZIHADYBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10(14)13(9-12-3-2-8-16-12)11-4-6-15-7-5-11/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 90610647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).