N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide

C26H24N2O3S2 — CID 90848030

About N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide

N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide (PubChem CID 90848030) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide.

Molecular Properties

• Compound Name: N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide
• PubChem CID: 90848030
• Molecular Formula: C26H24N2O3S2
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.12
• IUPAC Name: N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide
• SMILES: CSc1ccc(C(=O)NCCc2cccc(-c3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)cc1
• InChI: InChI=1S/C26H24N2O3S2/c1-32-22-11-9-20(10-12-22)24(29)27-14-13-17-3-2-4-21(15-17)19-7-5-18(6-8-19)16-23-25(30)28-26(31)33-23/h2-12,15,30H,13-14,16H2,1H3,(H,27,29)(H,28,31)
• InChIKey: NMGBTMVKYRBKQE-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 82.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide?

The IUPAC name of N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide (CID 90848030) is N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide.

What is the SMILES notation for N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide?

The canonical SMILES for N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCCc2cccc(-c3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)cc1.

What is the InChIKey of N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide?

The InChIKey is NMGBTMVKYRBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-32-22-11-9-20(10-12-22)24(29)27-14-13-17-3-2-4-21(15-17)19-7-5-18(6-8-19)16-23-25(30)28-26(31)33-23/h2-12,15,30H,13-14,16H2,1H3,(H,27,29)(H,28,31).

What are the key properties of N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide?

N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide has a molecular weight of 476.62 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 90848030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).