[2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C15H20N2O5S — CID 2095647

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H20N2O5S/c1-16-23(20,21)13-8-4-5-11(9-13)15(19)22-10-14(18)17-12-6-2-3-7-12/h4-5,8-9,12,16H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyNNFPAYKGZUQVBM-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.81
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 2095647) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID2095647
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H20N2O5S/c1-16-23(20,21)13-8-4-5-11(9-13)15(19)22-10-14(18)17-12-6-2-3-7-12/h4-5,8-9,12,16H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyNNFPAYKGZUQVBM-UHFFFAOYSA-N
XLogP0.81
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3896394
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4845870
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 5094837
4-Chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester
CID 2434904
[2-(Benzylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2346668
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2363938

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 2095647) is [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is NNFPAYKGZUQVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16-23(20,21)13-8-4-5-11(9-13)15(19)22-10-14(18)17-12-6-2-3-7-12/h4-5,8-9,12,16H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 340.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2095647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).