3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid

C24H19ClN2O5S2 — CID 155271605

IUPAC3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESCc1oncc1-c1ccc(-c2ccc(Cl)s2)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c1
InChIInChI=1S/C24H19ClN2O5S2/c1-13-19(12-26-32-13)15-4-7-18(21-8-9-23(25)33-21)20(10-15)27-34(30,31)22-11-16(24(28)29)5-6-17(22)14-2-3-14/h4-12,14,27H,2-3H2,1H3,(H,28,29)
InChIKeyPAAKTGRVYWNVMD-UHFFFAOYSA-N
MW515.01 g/mol
LogP6.41
Rot. Bonds7

About 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid

3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (PubChem CID 155271605) has the molecular formula C24H19ClN2O5S2 and a molecular weight of 515.01 g/mol. Its IUPAC name is 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
PubChem CID155271605
Molecular FormulaC24H19ClN2O5S2
Molecular Weight515.01 g/mol
Exact Mass514.04
IUPAC Name3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESCc1oncc1-c1ccc(-c2ccc(Cl)s2)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c1
InChIInChI=1S/C24H19ClN2O5S2/c1-13-19(12-26-32-13)15-4-7-18(21-8-9-23(25)33-21)20(10-15)27-34(30,31)22-11-16(24(28)29)5-6-17(22)14-2-3-14/h4-12,14,27H,2-3H2,1H3,(H,28,29)
InChIKeyPAAKTGRVYWNVMD-UHFFFAOYSA-N
XLogP6.41
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.01
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-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-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The IUPAC name of 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (CID 155271605) is 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.
What is the SMILES notation for 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The canonical SMILES for 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is Cc1oncc1-c1ccc(-c2ccc(Cl)s2)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c1.
What is the InChIKey of 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The InChIKey is PAAKTGRVYWNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S2/c1-13-19(12-26-32-13)15-4-7-18(21-8-9-23(25)33-21)20(10-15)27-34(30,31)22-11-16(24(28)29)5-6-17(22)14-2-3-14/h4-12,14,27H,2-3H2,1H3,(H,28,29).
What are the key properties of 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid has a molecular weight of 515.01 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is sourced from PubChem (CID 155271605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).