N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide

C21H27NO2S — CID 90611027

IUPACN-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCCc1ccccc1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C21H27NO2S/c23-21(10-4-8-18-6-2-1-3-7-18)22(19-12-15-24-16-13-19)14-11-20-9-5-17-25-20/h1-3,5-7,9,17,19H,4,8,10-16H2
InChIKeyLLTGPAFVXCBMMP-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.32
Rot. Bonds8

About N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide

N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 90611027) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID90611027
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC NameN-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCCc1ccccc1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C21H27NO2S/c23-21(10-4-8-18-6-2-1-3-7-18)22(19-12-15-24-16-13-19)14-11-20-9-5-17-25-20/h1-3,5-7,9,17,19H,4,8,10-16H2
InChIKeyLLTGPAFVXCBMMP-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 99873308
N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90610934
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
CID 90611125
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide (CID 90611027) is N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide is O=C(CCCc1ccccc1)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is LLTGPAFVXCBMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c23-21(10-4-8-18-6-2-1-3-7-18)22(19-12-15-24-16-13-19)14-11-20-9-5-17-25-20/h1-3,5-7,9,17,19H,4,8,10-16H2.
What are the key properties of N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 357.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 90611027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).