[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate

C19H17ClF2N2O7S — CID 55321965

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H17ClF2N2O7S/c1-11(24-32(28,29)15-8-4-13(20)5-9-15)18(27)30-10-16(25)23-17(26)12-2-6-14(7-3-12)31-19(21)22/h2-9,11,19,24H,10H2,1H3,(H,23,25,26)
InChIKeyVPDUJGXHODVUMV-UHFFFAOYSA-N
MW490.87 g/mol
LogP2.11
Rot. Bonds9

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 55321965) has the molecular formula C19H17ClF2N2O7S and a molecular weight of 490.87 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID55321965
Molecular FormulaC19H17ClF2N2O7S
Molecular Weight490.87 g/mol
Exact Mass490.04
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H17ClF2N2O7S/c1-11(24-32(28,29)15-8-4-13(20)5-9-15)18(27)30-10-16(25)23-17(26)12-2-6-14(7-3-12)31-19(21)22/h2-9,11,19,24H,10H2,1H3,(H,23,25,26)
InChIKeyVPDUJGXHODVUMV-UHFFFAOYSA-N
XLogP2.11
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.87
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841863
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841947
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841930
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 30327868
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841962
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 26236779
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841972
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2448249
[2-(3-fluorophenyl)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8676079
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate (CID 55321965) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is VPDUJGXHODVUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O7S/c1-11(24-32(28,29)15-8-4-13(20)5-9-15)18(27)30-10-16(25)23-17(26)12-2-6-14(7-3-12)31-19(21)22/h2-9,11,19,24H,10H2,1H3,(H,23,25,26).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 490.87 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55321965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).