N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide

C14H22N2O2S — CID 63291806

IUPACN-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1cccs1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(9-13-3-2-8-19-13)15-10-14(17)16-12-4-6-18-7-5-12/h2-3,8,11-12,15H,4-7,9-10H2,1H3,(H,16,17)
InChIKeyCAKHPTIPGMWSJW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.56
Rot. Bonds6

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

N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide (PubChem CID 63291806) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
PubChem CID63291806
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1cccs1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(9-13-3-2-8-19-13)15-10-14(17)16-12-4-6-18-7-5-12/h2-3,8,11-12,15H,4-7,9-10H2,1H3,(H,16,17)
InChIKeyCAKHPTIPGMWSJW-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide
CID 63099370
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide (CID 63291806) is N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide is CC(Cc1cccs1)NCC(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The InChIKey is CAKHPTIPGMWSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(9-13-3-2-8-19-13)15-10-14(17)16-12-4-6-18-7-5-12/h2-3,8,11-12,15H,4-7,9-10H2,1H3,(H,16,17).
What are the key properties of N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.56, 6 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-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 63291806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).