N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide

C15H24N2O2S — CID 63099370

IUPACN-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide
SMILESCCCC(NCC(=O)NC1CCOCC1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-2-4-13(14-5-3-10-20-14)16-11-15(18)17-12-6-8-19-9-7-12/h3,5,10,12-13,16H,2,4,6-9,11H2,1H3,(H,17,18)
InChIKeySHWCCMHVOFFVBH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.47
Rot. Bonds7

About N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide

N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide (PubChem CID 63099370) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide
PubChem CID63099370
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide
SMILESCCCC(NCC(=O)NC1CCOCC1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-2-4-13(14-5-3-10-20-14)16-11-15(18)17-12-6-8-19-9-7-12/h3,5,10,12-13,16H,2,4,6-9,11H2,1H3,(H,17,18)
InChIKeySHWCCMHVOFFVBH-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
CID 79378036
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide (CID 63099370) is N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide is CCCC(NCC(=O)NC1CCOCC1)c1cccs1.
What is the InChIKey of N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide?
The InChIKey is SHWCCMHVOFFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-4-13(14-5-3-10-20-14)16-11-15(18)17-12-6-8-19-9-7-12/h3,5,10,12-13,16H,2,4,6-9,11H2,1H3,(H,17,18).
What are the key properties of N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide?
N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide is sourced from PubChem (CID 63099370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).