3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid

C25H28N2O5S — CID 142669628

IUPAC3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid
SMILESNS(=O)(=O)Nc1ccc2c(-c3cc(CCC(=O)O)ccc3OCC3CCCC3)cccc2c1
InChIInChI=1S/C25H28N2O5S/c26-33(30,31)27-20-10-11-21-19(15-20)6-3-7-22(21)23-14-17(9-13-25(28)29)8-12-24(23)32-16-18-4-1-2-5-18/h3,6-8,10-12,14-15,18,27H,1-2,4-5,9,13,16H2,(H,28,29)(H2,26,30,31)
InChIKeyZUHWIGMVLLYJGB-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.71
Rot. Bonds9

About 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid

3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid (PubChem CID 142669628) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid
PubChem CID142669628
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid
SMILESNS(=O)(=O)Nc1ccc2c(-c3cc(CCC(=O)O)ccc3OCC3CCCC3)cccc2c1
InChIInChI=1S/C25H28N2O5S/c26-33(30,31)27-20-10-11-21-19(15-20)6-3-7-22(21)23-14-17(9-13-25(28)29)8-12-24(23)32-16-18-4-1-2-5-18/h3,6-8,10-12,14-15,18,27H,1-2,4-5,9,13,16H2,(H,28,29)(H2,26,30,31)
InChIKeyZUHWIGMVLLYJGB-UHFFFAOYSA-N
XLogP4.71
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-(2-carboxyethyl)-2-(cyclohexylmethoxy)phenyl]naphthalene-2-carboxylic acid
CID 22558817
3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid
CID 22558968
methyl 3-[4-(cyclopentylmethoxy)-3-[6-(methylamino)naphthalen-2-yl]phenyl]propanoate
CID 22559030
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
5-[5-(2-carboxyethyl)-2-(cyclopentylmethoxy)phenyl]-1,2-dimethylindole-3-carboxylic acid
CID 142701721
methyl 3-[3-[6-(2-chloroethoxycarbonylamino)naphthalen-2-yl]-4-(cyclopentylmethoxy)phenyl]propanoate
CID 22558618
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
CID 62069827
3-[4-(cyclopentylmethoxy)-3-[7-[2-(2-hydroxyacetyl)pyrrol-2-yl]naphthalen-2-yl]phenyl]propanoic acid
CID 90891528
3-[4-(cyclopentylmethoxy)-3-[6-(methylamino)naphthalen-2-yl]phenyl]-2-methylpropanoic acid
CID 68826339
3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
CID 105360943
3-[3-(cyclohexylmethoxy)-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid
CID 11620421

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid (CID 142669628) is 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid is NS(=O)(=O)Nc1ccc2c(-c3cc(CCC(=O)O)ccc3OCC3CCCC3)cccc2c1.
What is the InChIKey of 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid?
The InChIKey is ZUHWIGMVLLYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c26-33(30,31)27-20-10-11-21-19(15-20)6-3-7-22(21)23-14-17(9-13-25(28)29)8-12-24(23)32-16-18-4-1-2-5-18/h3,6-8,10-12,14-15,18,27H,1-2,4-5,9,13,16H2,(H,28,29)(H2,26,30,31).
What are the key properties of 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid?
3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid has a molecular weight of 468.58 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylmethoxy)-3-[6-(sulfamoylamino)naphthalen-1-yl]phenyl]propanoic acid is sourced from PubChem (CID 142669628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).