[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate

C16H20Cl2N2O7S — CID 5212779

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O7S/c1-4-26-16(23)20-14(21)8-27-15(22)10-5-13(12(18)6-11(10)17)28(24,25)19-7-9(2)3/h5-6,9,19H,4,7-8H2,1-3H3,(H,20,21,23)
InChIKeyCHBXPSJISAZZTM-UHFFFAOYSA-N
MW455.32 g/mol
LogP2.36
Rot. Bonds8

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (PubChem CID 5212779) has the molecular formula C16H20Cl2N2O7S and a molecular weight of 455.32 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
PubChem CID5212779
Molecular FormulaC16H20Cl2N2O7S
Molecular Weight455.32 g/mol
Exact Mass454.04
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O7S/c1-4-26-16(23)20-14(21)8-27-15(22)10-5-13(12(18)6-11(10)17)28(24,25)19-7-9(2)3/h5-6,9,19H,4,7-8H2,1-3H3,(H,20,21,23)
InChIKeyCHBXPSJISAZZTM-UHFFFAOYSA-N
XLogP2.36
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 2599609
[2-(4-ethylphenyl)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3553574
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 4557232
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3323439
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 6599296
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 26918482
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510081
2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3281328
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620423
decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
CID 59912480

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (CID 5212779) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is CCOC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The InChIKey is CHBXPSJISAZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O7S/c1-4-26-16(23)20-14(21)8-27-15(22)10-5-13(12(18)6-11(10)17)28(24,25)19-7-9(2)3/h5-6,9,19H,4,7-8H2,1-3H3,(H,20,21,23).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate has a molecular weight of 455.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is sourced from PubChem (CID 5212779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).