4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid

C20H24N2O4S — CID 99979327

IUPAC4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4S/c23-20(24)16-10-11-18(22-17-8-4-5-9-17)19(14-16)27(25,26)21-13-12-15-6-2-1-3-7-15/h1-3,6-7,10-11,14,17,21-22H,4-5,8-9,12-13H2,(H,23,24)
InChIKeyOOPUBCASYQMTQO-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.26
Rot. Bonds8

About 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid

4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 99979327) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID99979327
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4S/c23-20(24)16-10-11-18(22-17-8-4-5-9-17)19(14-16)27(25,26)21-13-12-15-6-2-1-3-7-15/h1-3,6-7,10-11,14,17,21-22H,4-5,8-9,12-13H2,(H,23,24)
InChIKeyOOPUBCASYQMTQO-UHFFFAOYSA-N
XLogP3.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
CID 99978998
4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979352
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
3-(cycloheptylsulfamoyl)-4-(2-phenylethylamino)benzoic acid
CID 99978450
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
CID 99977705
3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
4-(2-phenylethylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977513
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981122
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(methylamino)benzoic acid
CID 99988535
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(propan-2-ylamino)benzoic acid
CID 99979401

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid (CID 99979327) is 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid is O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is OOPUBCASYQMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-20(24)16-10-11-18(22-17-8-4-5-9-17)19(14-16)27(25,26)21-13-12-15-6-2-1-3-7-15/h1-3,6-7,10-11,14,17,21-22H,4-5,8-9,12-13H2,(H,23,24).
What are the key properties of 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 388.49 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 99979327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).