2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide

C15H24N2O3S — CID 114952955

IUPAC2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CC(=O)NCCc1cccs1)CC1(O)CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-17(12-15(19)5-8-20-9-6-15)11-14(18)16-7-4-13-3-2-10-21-13/h2-3,10,19H,4-9,11-12H2,1H3,(H,16,18)
InChIKeyQSFJJLMLMKMCPZ-UHFFFAOYSA-N
MW312.43 g/mol
LogP0.88
Rot. Bonds7

About 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide

2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 114952955) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID114952955
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CC(=O)NCCc1cccs1)CC1(O)CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-17(12-15(19)5-8-20-9-6-15)11-14(18)16-7-4-13-3-2-10-21-13/h2-3,10,19H,4-9,11-12H2,1H3,(H,16,18)
InChIKeyQSFJJLMLMKMCPZ-UHFFFAOYSA-N
XLogP0.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 81490839
2-[[4-(dimethylamino)oxan-4-yl]methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111785581
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
CID 131916129
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 114952829

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide (CID 114952955) is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide is CN(CC(=O)NCCc1cccs1)CC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is QSFJJLMLMKMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(12-15(19)5-8-20-9-6-15)11-14(18)16-7-4-13-3-2-10-21-13/h2-3,10,19H,4-9,11-12H2,1H3,(H,16,18).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 312.43 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 114952955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).