3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

C20H15ClN4O4S2 — CID 2290468

IUPAC3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H15ClN4O4S2/c1-12-17(18(24-29-12)15-4-2-3-5-16(15)21)19(26)23-13-6-8-14(9-7-13)31(27,28)25-20-22-10-11-30-20/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKeySEOGYIAFHAQLNQ-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.81
Rot. Bonds6

About 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 2290468) has the molecular formula C20H15ClN4O4S2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID2290468
Molecular FormulaC20H15ClN4O4S2
Molecular Weight474.95 g/mol
Exact Mass474.02
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H15ClN4O4S2/c1-12-17(18(24-29-12)15-4-2-3-5-16(15)21)19(26)23-13-6-8-14(9-7-13)31(27,28)25-20-22-10-11-30-20/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKeySEOGYIAFHAQLNQ-UHFFFAOYSA-N
XLogP4.81
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 2290468) is 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SEOGYIAFHAQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4S2/c1-12-17(18(24-29-12)15-4-2-3-5-16(15)21)19(26)23-13-6-8-14(9-7-13)31(27,28)25-20-22-10-11-30-20/h2-11H,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2290468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).