5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C25H26ClN3O5S — CID 25143972

About 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 25143972) has the molecular formula C25H26ClN3O5S and a molecular weight of 516.02 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 25143972
• Molecular Formula: C25H26ClN3O5S
• Molecular Weight: 516.02 g/mol
• Exact Mass: 515.13
• IUPAC Name: 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CCCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCO)c1=O
• InChI: InChI=1S/C25H26ClN3O5S/c1-2-4-17-13-18(6-7-20(17)28-11-3-5-16(10-12-30)24(28)32)29-15-19(34-25(29)33)14-27-23(31)21-8-9-22(26)35-21/h3,5-9,11,13,19,30H,2,4,10,12,14-15H2,1H3,(H,27,31)/t19-/m0/s1
• InChIKey: VTIWIFRWLXHHLM-IBGZPJMESA-N
• XLogP: 3.79
• TPSA: 100.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.02
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 25143972) is 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CCCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCO)c1=O.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is VTIWIFRWLXHHLM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26ClN3O5S/c1-2-4-17-13-18(6-7-20(17)28-11-3-5-16(10-12-30)24(28)32)29-15-19(34-25(29)33)14-27-23(31)21-8-9-22(26)35-21/h3,5-9,11,13,19,30H,2,4,10,12,14-15H2,1H3,(H,27,31)/t19-/m0/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 516.02 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[4-[3-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-3-propylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25143972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).