2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

C12H18F2N2O2S — CID 107485550

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN(CCO)CC(F)F)c1cccs1
InChIInChI=1S/C12H18F2N2O2S/c1-9(10-3-2-6-19-10)15-12(18)8-16(4-5-17)7-11(13)14/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyRDTQHXIOXIIZCT-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.48
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 107485550) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID107485550
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN(CCO)CC(F)F)c1cccs1
InChIInChI=1S/C12H18F2N2O2S/c1-9(10-3-2-6-19-10)15-12(18)8-16(4-5-17)7-11(13)14/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyRDTQHXIOXIIZCT-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107203732
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (CID 107485550) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN(CCO)CC(F)F)c1cccs1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is RDTQHXIOXIIZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-9(10-3-2-6-19-10)15-12(18)8-16(4-5-17)7-11(13)14/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 107485550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).