[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

C21H24N2O5S — CID 2706798

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C21H24N2O5S/c1-15-6-4-10-18(12-15)23-29(26,27)19-11-5-7-16(13-19)21(25)28-14-20(24)22-17-8-2-3-9-17/h4-7,10-13,17,23H,2-3,8-9,14H2,1H3,(H,22,24)
InChIKeyQLBZMFBIGMNNJU-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.01
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 2706798) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID2706798
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C21H24N2O5S/c1-15-6-4-10-18(12-15)23-29(26,27)19-11-5-7-16(13-19)21(25)28-14-20(24)22-17-8-2-3-9-17/h4-7,10-13,17,23H,2-3,8-9,14H2,1H3,(H,22,24)
InChIKeyQLBZMFBIGMNNJU-UHFFFAOYSA-N
XLogP3.01
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706772
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706788
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 9488090
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976970
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119474946
[2-(cyclopentylamino)-2-oxoethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 42985250
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499402
[2-(cyclopropylamino)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 7880470

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate (CID 2706798) is [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC3CCCC3)c2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is QLBZMFBIGMNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15-6-4-10-18(12-15)23-29(26,27)19-11-5-7-16(13-19)21(25)28-14-20(24)22-17-8-2-3-9-17/h4-7,10-13,17,23H,2-3,8-9,14H2,1H3,(H,22,24).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate has a molecular weight of 416.50 g/mol, XLogP of 3.01, 7 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-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2706798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).