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

C15H20Cl2N2O5S — CID 2599609

IUPAC[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SMILESCCNC(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O5S/c1-4-18-14(20)8-24-15(21)10-5-13(12(17)6-11(10)16)25(22,23)19-7-9(2)3/h5-6,9,19H,4,7-8H2,1-3H3,(H,18,20)
InChIKeySYGAGLXIZNSYGS-UHFFFAOYSA-N
MW411.31 g/mol
LogP2.22
Rot. Bonds8

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

[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (PubChem CID 2599609) has the molecular formula C15H20Cl2N2O5S and a molecular weight of 411.31 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
PubChem CID2599609
Molecular FormulaC15H20Cl2N2O5S
Molecular Weight411.31 g/mol
Exact Mass410.05
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SMILESCCNC(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O5S/c1-4-18-14(20)8-24-15(21)10-5-13(12(17)6-11(10)16)25(22,23)19-7-9(2)3/h5-6,9,19H,4,7-8H2,1-3H3,(H,18,20)
InChIKeySYGAGLXIZNSYGS-UHFFFAOYSA-N
XLogP2.22
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 5212779
[2-(4-ethylphenyl)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3553574
[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-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3281328
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 26918482
decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
CID 59912480
N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 78796282
[2-(2-methylpropylamino)-2-oxoethyl] 4-amino-2-chlorobenzoate
CID 61320883
2-propoxyethyl 2,4-dichloro-5-chlorosulfonylbenzoate
CID 65375892

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate (CID 2599609) is [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
The InChIKey is SYGAGLXIZNSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O5S/c1-4-18-14(20)8-24-15(21)10-5-13(12(17)6-11(10)16)25(22,23)19-7-9(2)3/h5-6,9,19H,4,7-8H2,1-3H3,(H,18,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate?
[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate has a molecular weight of 411.31 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate is sourced from PubChem (CID 2599609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).