3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid

C24H24N2O5S2 — CID 167444892

IUPAC3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESO=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccns3)ccc2OC2CCCC2)c1
InChIInChI=1S/C24H24N2O5S2/c27-24(28)17-7-9-19(15-5-6-15)23(14-17)33(29,30)26-20-13-16(22-11-12-25-32-22)8-10-21(20)31-18-3-1-2-4-18/h7-15,18,26H,1-6H2,(H,27,28)
InChIKeyVPPRDKCMEQAAQR-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.51
Rot. Bonds8

About 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid

3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (PubChem CID 167444892) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.

Molecular Properties

Compound Name3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
PubChem CID167444892
Molecular FormulaC24H24N2O5S2
Molecular Weight484.60 g/mol
Exact Mass484.11
IUPAC Name3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESO=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccns3)ccc2OC2CCCC2)c1
InChIInChI=1S/C24H24N2O5S2/c27-24(28)17-7-9-19(15-5-6-15)23(14-17)33(29,30)26-20-13-16(22-11-12-25-32-22)8-10-21(20)31-18-3-1-2-4-18/h7-15,18,26H,1-6H2,(H,27,28)
InChIKeyVPPRDKCMEQAAQR-UHFFFAOYSA-N
XLogP5.51
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The IUPAC name of 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (CID 167444892) is 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.
What is the SMILES notation for 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The canonical SMILES for 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is O=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccns3)ccc2OC2CCCC2)c1.
What is the InChIKey of 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The InChIKey is VPPRDKCMEQAAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S2/c27-24(28)17-7-9-19(15-5-6-15)23(14-17)33(29,30)26-20-13-16(22-11-12-25-32-22)8-10-21(20)31-18-3-1-2-4-18/h7-15,18,26H,1-6H2,(H,27,28).
What are the key properties of 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid has a molecular weight of 484.60 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is sourced from PubChem (CID 167444892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).