N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C20H19N5O4S3 — CID 55628529

About N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 55628529) has the molecular formula C20H19N5O4S3 and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• PubChem CID: 55628529
• Molecular Formula: C20H19N5O4S3
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.06
• IUPAC Name: N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• SMILES: Cn1ccnc1SCc1ccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)o1
• InChI: InChI=1S/C20H19N5O4S3/c1-25-10-9-21-20(25)31-11-15-7-8-17(29-15)18(26)23-19-22-16(12-30-19)13-3-5-14(6-4-13)24-32(2,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,23,26)
• InChIKey: XXVYOHWPTJUDQV-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 119.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 55628529) is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)o1.

What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The InChIKey is XXVYOHWPTJUDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S3/c1-25-10-9-21-20(25)31-11-15-7-8-17(29-15)18(26)23-19-22-16(12-30-19)13-3-5-14(6-4-13)24-32(2,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,23,26).

What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 55628529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).