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

C23H20N2O3S2 — CID 91303382

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

N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide (PubChem CID 91303382) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide
• PubChem CID: 91303382
• Molecular Formula: C23H20N2O3S2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.09
• IUPAC Name: N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide
• SMILES: O=C(NCCc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)c1ccsc1
• InChI: InChI=1S/C23H20N2O3S2/c26-21(19-9-11-29-14-19)24-10-8-15-2-1-3-18(12-15)17-6-4-16(5-7-17)13-20-22(27)25-23(28)30-20/h1-7,9,11-12,14,27H,8,10,13H2,(H,24,26)(H,25,28)
• InChIKey: HFJJNOGZRKWJCY-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 82.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	4.43
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]thiophene-3-carboxamide?

The IUPAC name of N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide (CID 91303382) is N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide.

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

The canonical SMILES for N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide is O=C(NCCc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)c1ccsc1.

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

The InChIKey is HFJJNOGZRKWJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c26-21(19-9-11-29-14-19)24-10-8-15-2-1-3-18(12-15)17-6-4-16(5-7-17)13-20-22(27)25-23(28)30-20/h1-7,9,11-12,14,27H,8,10,13H2,(H,24,26)(H,25,28).

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

N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.43, 7 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]thiophene-3-carboxamide is sourced from PubChem (CID 91303382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).