[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

C17H22ClN3O6S — CID 2449368

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H22ClN3O6S/c1-21(2)28(25,26)12-7-8-14(18)13(9-12)16(23)27-10-15(22)20-17(24)19-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H2,19,20,22,24)
InChIKeyKAOAMWDKURQKDL-UHFFFAOYSA-N
MW431.90 g/mol
LogP1.52
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 2449368) has the molecular formula C17H22ClN3O6S and a molecular weight of 431.90 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID2449368
Molecular FormulaC17H22ClN3O6S
Molecular Weight431.90 g/mol
Exact Mass431.09
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H22ClN3O6S/c1-21(2)28(25,26)12-7-8-14(18)13(9-12)16(23)27-10-15(22)20-17(24)19-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H2,19,20,22,24)
InChIKeyKAOAMWDKURQKDL-UHFFFAOYSA-N
XLogP1.52
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 3930682
4-Chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester
CID 2434904
[2-(Cyclohexylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2433528
[2-(Butylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2461830
[2-(Cyclohexylamino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 2514244
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629249
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 2453772
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 3981250
[2-(Benzylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 5219106
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2405135

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 2449368) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is KAOAMWDKURQKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O6S/c1-21(2)28(25,26)12-7-8-14(18)13(9-12)16(23)27-10-15(22)20-17(24)19-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H2,19,20,22,24).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 431.90 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2449368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).