5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C24H28ClN3O4S — CID 53239532

About 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 53239532) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 53239532
• Molecular Formula: C24H28ClN3O4S
• Molecular Weight: 490.03 g/mol
• Exact Mass: 489.15
• IUPAC Name: 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCC1CN(c2ccc(C3(CN4CCC(O)CC4)CC3)cc2)C(=O)O1)c1ccc(Cl)s1
• InChI: InChI=1S/C24H28ClN3O4S/c25-21-6-5-20(33-21)22(30)26-13-19-14-28(23(31)32-19)17-3-1-16(2-4-17)24(9-10-24)15-27-11-7-18(29)8-12-27/h1-6,18-19,29H,7-15H2,(H,26,30)
• InChIKey: HZMRGWSGJVHWNC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.03
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 53239532) is 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CN(c2ccc(C3(CN4CCC(O)CC4)CC3)cc2)C(=O)O1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is HZMRGWSGJVHWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c25-21-6-5-20(33-21)22(30)26-13-19-14-28(23(31)32-19)17-3-1-16(2-4-17)24(9-10-24)15-27-11-7-18(29)8-12-27/h1-6,18-19,29H,7-15H2,(H,26,30).

What are the key properties of 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53239532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).