4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C17H24N2O6S — CID 75445977

IUPAC4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESO=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1)NCCCOC1CCCC1
InChIInChI=1S/C17H24N2O6S/c20-16(18-10-3-11-25-14-4-1-2-5-14)12-19-26(23,24)15-8-6-13(7-9-15)17(21)22/h6-9,14,19H,1-5,10-12H2,(H,18,20)(H,21,22)
InChIKeyWVUSZPBFUKMFLK-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.13
Rot. Bonds10

About 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid

4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 75445977) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID75445977
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESO=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1)NCCCOC1CCCC1
InChIInChI=1S/C17H24N2O6S/c20-16(18-10-3-11-25-14-4-1-2-5-14)12-19-26(23,24)15-8-6-13(7-9-15)17(21)22/h6-9,14,19H,1-5,10-12H2,(H,18,20)(H,21,22)
InChIKeyWVUSZPBFUKMFLK-UHFFFAOYSA-N
XLogP1.13
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
CID 18228839
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
4-[[(1R,2S)-2-carboxycyclohexyl]methylsulfamoyl]benzoic acid
CID 108781394

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 75445977) is 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid is O=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1)NCCCOC1CCCC1.
What is the InChIKey of 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is WVUSZPBFUKMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c20-16(18-10-3-11-25-14-4-1-2-5-14)12-19-26(23,24)15-8-6-13(7-9-15)17(21)22/h6-9,14,19H,1-5,10-12H2,(H,18,20)(H,21,22).
What are the key properties of 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 384.45 g/mol, XLogP of 1.13, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 75445977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).