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

C21H18N4O4S2 — CID 17013075

IUPAC5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)no2)cc1C
InChIInChI=1S/C21H18N4O4S2/c1-13-3-4-15(11-14(13)2)19-12-18(24-29-19)20(26)23-16-5-7-17(8-6-16)31(27,28)25-21-22-9-10-30-21/h3-12H,1-2H3,(H,22,25)(H,23,26)
InChIKeyZKCWHTRMAZESIQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.47
Rot. Bonds6

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

5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 17013075) has the molecular formula C21H18N4O4S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID17013075
Molecular FormulaC21H18N4O4S2
Molecular Weight454.53 g/mol
Exact Mass454.08
IUPAC Name5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)no2)cc1C
InChIInChI=1S/C21H18N4O4S2/c1-13-3-4-15(11-14(13)2)19-12-18(24-29-19)20(26)23-16-5-7-17(8-6-16)31(27,28)25-21-22-9-10-30-21/h3-12H,1-2H3,(H,22,25)(H,23,26)
InChIKeyZKCWHTRMAZESIQ-UHFFFAOYSA-N
XLogP4.47
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 18809223
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CID 17011912
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
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5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
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3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
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3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197
3-iodo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5229800
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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide (CID 17013075) is 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)no2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZKCWHTRMAZESIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2/c1-13-3-4-15(11-14(13)2)19-12-18(24-29-19)20(26)23-16-5-7-17(8-6-16)31(27,28)25-21-22-9-10-30-21/h3-12H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17013075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).