2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide

C14H22N2O2S — CID 106010838

IUPAC2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCCc1ccc(CNCC(=O)NC2CCOCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-2-12-3-4-13(19-12)9-15-10-14(17)16-11-5-7-18-8-6-11/h3-4,11,15H,2,5-10H2,1H3,(H,16,17)
InChIKeyXHFMAKFUVAQMMM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.70
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide

2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 106010838) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID106010838
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCCc1ccc(CNCC(=O)NC2CCOCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-2-12-3-4-13(19-12)9-15-10-14(17)16-11-5-7-18-8-6-11/h3-4,11,15H,2,5-10H2,1H3,(H,16,17)
InChIKeyXHFMAKFUVAQMMM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 60981942
N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209
N-cyclopropyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 61333566
N-cyclohexyl-2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111956745
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
N-[2-[(5-ethylthiophen-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115618862
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63097814
2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099902

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide (CID 106010838) is 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide is CCc1ccc(CNCC(=O)NC2CCOCC2)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is XHFMAKFUVAQMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-12-3-4-13(19-12)9-15-10-14(17)16-11-5-7-18-8-6-11/h3-4,11,15H,2,5-10H2,1H3,(H,16,17).
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 106010838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).