[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate

C17H17F2NO4S — CID 55386348

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCN(Cc1cccs1)C(=O)COC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO4S/c1-20(10-14-3-2-8-25-14)15(21)11-23-16(22)9-12-4-6-13(7-5-12)24-17(18)19/h2-8,17H,9-11H2,1H3
InChIKeyUOZLICQPQMXAOI-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.09
Rot. Bonds8

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 55386348) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID55386348
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCN(Cc1cccs1)C(=O)COC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO4S/c1-20(10-14-3-2-8-25-14)15(21)11-23-16(22)9-12-4-6-13(7-5-12)24-17(18)19/h2-8,17H,9-11H2,1H3
InChIKeyUOZLICQPQMXAOI-UHFFFAOYSA-N
XLogP3.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 43026526
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(4-fluorophenoxy)benzoate
CID 24524313
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315086
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55397130
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 30558543
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530869

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate (CID 55386348) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate is CN(Cc1cccs1)C(=O)COC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is UOZLICQPQMXAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-20(10-14-3-2-8-25-14)15(21)11-23-16(22)9-12-4-6-13(7-5-12)24-17(18)19/h2-8,17H,9-11H2,1H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 369.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55386348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).