[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

C15H13F2NO5S2 — CID 7836920

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESO=C(CCNS(=O)(=O)c1cccs1)OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO5S2/c16-11-4-3-10(8-12(11)17)13(19)9-23-14(20)5-6-18-25(21,22)15-2-1-7-24-15/h1-4,7-8,18H,5-6,9H2
InChIKeyKWRIHXULYNEBNO-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.12
Rot. Bonds8

About [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 7836920) has the molecular formula C15H13F2NO5S2 and a molecular weight of 389.40 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID7836920
Molecular FormulaC15H13F2NO5S2
Molecular Weight389.40 g/mol
Exact Mass389.02
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESO=C(CCNS(=O)(=O)c1cccs1)OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO5S2/c16-11-4-3-10(8-12(11)17)13(19)9-23-14(20)5-6-18-25(21,22)15-2-1-7-24-15/h1-4,7-8,18H,5-6,9H2
InChIKeyKWRIHXULYNEBNO-UHFFFAOYSA-N
XLogP2.12
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836941
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 2468453
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234491
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 34780491
[2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 2532976
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827565
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (CID 7836920) is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is O=C(CCNS(=O)(=O)c1cccs1)OCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is KWRIHXULYNEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5S2/c16-11-4-3-10(8-12(11)17)13(19)9-23-14(20)5-6-18-25(21,22)15-2-1-7-24-15/h1-4,7-8,18H,5-6,9H2.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 389.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7836920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).