2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C12H18F2N2O2S — CID 107485003

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O2S/c1-15(6-10-2-5-19-9-10)12(18)8-16(3-4-17)7-11(13)14/h2,5,9,11,17H,3-4,6-8H2,1H3
InChIKeyZWKQFHRSTWUQBY-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.27
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 107485003) 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-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID107485003
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O2S/c1-15(6-10-2-5-19-9-10)12(18)8-16(3-4-17)7-11(13)14/h2,5,9,11,17H,3-4,6-8H2,1H3
InChIKeyZWKQFHRSTWUQBY-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103864932
N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107485107
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 107485690
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
N-(2-chloroethyl)-2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 107487991
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466825
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 42088730
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55409823

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 107485003) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is ZWKQFHRSTWUQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-15(6-10-2-5-19-9-10)12(18)8-16(3-4-17)7-11(13)14/h2,5,9,11,17H,3-4,6-8H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 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-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 107485003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).