[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

C16H17FN2O5S2 — CID 29385046

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESCN(Cc1cccs1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H17FN2O5S2/c1-19(10-12-5-4-8-25-12)15(20)11-24-16(21)9-18-26(22,23)14-7-3-2-6-13(14)17/h2-8,18H,9-11H2,1H3
InChIKeyHGJTUAICHWVQJW-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.37
Rot. Bonds8

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 29385046) has the molecular formula C16H17FN2O5S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
PubChem CID29385046
Molecular FormulaC16H17FN2O5S2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESCN(Cc1cccs1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H17FN2O5S2/c1-19(10-12-5-4-8-25-12)15(20)11-24-16(21)9-18-26(22,23)14-7-3-2-6-13(14)17/h2-8,18H,9-11H2,1H3
InChIKeyHGJTUAICHWVQJW-UHFFFAOYSA-N
XLogP1.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 51912816
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55426338
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983047
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386348
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(4-fluorophenoxy)benzoate
CID 24524313
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530869
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397454

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (CID 29385046) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is CN(Cc1cccs1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is HGJTUAICHWVQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S2/c1-19(10-12-5-4-8-25-12)15(20)11-24-16(21)9-18-26(22,23)14-7-3-2-6-13(14)17/h2-8,18H,9-11H2,1H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 400.45 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 29385046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).