5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide

C24H25N5O5S2 — CID 17119868

About 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 17119868) has the molecular formula C24H25N5O5S2 and a molecular weight of 527.63 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 17119868
• Molecular Formula: C24H25N5O5S2
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.13
• IUPAC Name: 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)N1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)CC1=O
• InChI: InChI=1S/C24H25N5O5S2/c1-15(2)29-14-17(13-21(29)30)23(32)27-18-5-3-16(4-6-18)22(31)26-19-7-9-20(10-8-19)36(33,34)28-24-25-11-12-35-24/h3-12,15,17H,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,32)
• InChIKey: RMRKUVGZABOSJX-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 137.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide (CID 17119868) is 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)CC1=O.

What is the InChIKey of 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide?

The InChIKey is RMRKUVGZABOSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S2/c1-15(2)29-14-17(13-21(29)30)23(32)27-18-5-3-16(4-6-18)22(31)26-19-7-9-20(10-8-19)36(33,34)28-24-25-11-12-35-24/h3-12,15,17H,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,32).

What are the key properties of 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide?

5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17119868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).