[2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

C18H26N2O6S — CID 2393503

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H26N2O6S/c1-3-20(4-2)27(24,25)14-9-10-16(21)15(11-14)18(23)26-12-17(22)19-13-7-5-6-8-13/h9-11,13,21H,3-8,12H2,1-2H3,(H,19,22)
InChIKeySKSYFIKUIYIEEF-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.64
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate (PubChem CID 2393503) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
PubChem CID2393503
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H26N2O6S/c1-3-20(4-2)27(24,25)14-9-10-16(21)15(11-14)18(23)26-12-17(22)19-13-7-5-6-8-13/h9-11,13,21H,3-8,12H2,1-2H3,(H,19,22)
InChIKeySKSYFIKUIYIEEF-UHFFFAOYSA-N
XLogP1.64
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-propylpentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 23645113
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-(propan-2-yl)pentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 23645114
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-(2-methylpropyl)pentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 23645115
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}pentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 5327336
[2-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-methylpentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 23645111
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-ethylpentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 23645112
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-cyclopentylpentyl)sulfamoyl]-2-hydroxybenzoic acid
CID 23645117
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361888
[2-(Tert-butylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 2435854
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 2999615
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoate
CID 4477477

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate (CID 2393503) is [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate is CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The InChIKey is SKSYFIKUIYIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-3-20(4-2)27(24,25)14-9-10-16(21)15(11-14)18(23)26-12-17(22)19-13-7-5-6-8-13/h9-11,13,21H,3-8,12H2,1-2H3,(H,19,22).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate has a molecular weight of 398.48 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate is sourced from PubChem (CID 2393503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).