4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide

C23H20N6O4S2 — CID 118710641

About 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide

4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 118710641) has the molecular formula C23H20N6O4S2 and a molecular weight of 508.59 g/mol. Its IUPAC name is 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
• PubChem CID: 118710641
• Molecular Formula: C23H20N6O4S2
• Molecular Weight: 508.59 g/mol
• Exact Mass: 508.10
• IUPAC Name: 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
• SMILES: Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3c(Nc4ccccc4)sc(C#N)c3N)cc2)c1C
• InChI: InChI=1S/C23H20N6O4S2/c1-13-14(2)28-33-22(13)29-35(31,32)17-10-8-16(9-11-17)26-21(30)19-20(25)18(12-24)34-23(19)27-15-6-4-3-5-7-15/h3-11,27,29H,25H2,1-2H3,(H,26,30)
• InChIKey: DAERWIAWNHEIIA-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 163.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?

The IUPAC name of 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide (CID 118710641) is 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide.

What is the SMILES notation for 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?

The canonical SMILES for 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3c(Nc4ccccc4)sc(C#N)c3N)cc2)c1C.

What is the InChIKey of 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?

The InChIKey is DAERWIAWNHEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S2/c1-13-14(2)28-33-22(13)29-35(31,32)17-10-8-16(9-11-17)26-21(30)19-20(25)18(12-24)34-23(19)27-15-6-4-3-5-7-15/h3-11,27,29H,25H2,1-2H3,(H,26,30).

What are the key properties of 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?

4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 508.59 g/mol, XLogP of 4.60, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 118710641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).