[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate

C16H21ClN2O7S — CID 2510081

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl
InChIInChI=1S/C16H21ClN2O7S/c1-4-19(5-2)27(23,24)11-7-8-13(17)12(9-11)15(21)26-10-14(20)18-16(22)25-6-3/h7-9H,4-6,10H2,1-3H3,(H,18,20,22)
InChIKeyAEFIENIGIYWOFV-UHFFFAOYSA-N
MW420.87 g/mol
LogP1.80
Rot. Bonds8

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 2510081) has the molecular formula C16H21ClN2O7S and a molecular weight of 420.87 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID2510081
Molecular FormulaC16H21ClN2O7S
Molecular Weight420.87 g/mol
Exact Mass420.08
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl
InChIInChI=1S/C16H21ClN2O7S/c1-4-19(5-2)27(23,24)11-7-8-13(17)12(9-11)15(21)26-10-14(20)18-16(22)25-6-3/h7-9H,4-6,10H2,1-3H3,(H,18,20,22)
InChIKeyAEFIENIGIYWOFV-UHFFFAOYSA-N
XLogP1.80
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2642873
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510318
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521793
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
[2-(methoxycarbonylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 7725690
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2465525
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510286
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510343
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631379
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2357837

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate (CID 2510081) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate is CCOC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is AEFIENIGIYWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O7S/c1-4-19(5-2)27(23,24)11-7-8-13(17)12(9-11)15(21)26-10-14(20)18-16(22)25-6-3/h7-9H,4-6,10H2,1-3H3,(H,18,20,22).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 420.87 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2510081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).