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

C27H30ClN3O6S — CID 71023696

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

5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 71023696) has the molecular formula C27H30ClN3O6S and a molecular weight of 560.07 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 71023696
• Molecular Formula: C27H30ClN3O6S
• Molecular Weight: 560.07 g/mol
• Exact Mass: 559.15
• IUPAC Name: 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: COCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCCCCO)c1=O
• InChI: InChI=1S/C27H30ClN3O6S/c1-36-17-19-14-20(8-9-22(19)30-12-5-7-18(26(30)34)6-3-2-4-13-32)31-16-21(37-27(31)35)15-29-25(33)23-10-11-24(28)38-23/h5,7-12,14,21,32H,2-4,6,13,15-17H2,1H3,(H,29,33)/t21-/m0/s1
• InChIKey: ADOJCDHNWALCRO-NRFANRHFSA-N
• XLogP: 4.16
• TPSA: 110.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.07
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 71023696) is 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is COCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCCCCO)c1=O.

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

The InChIKey is ADOJCDHNWALCRO-NRFANRHFSA-N. The full InChI is InChI=1S/C27H30ClN3O6S/c1-36-17-19-14-20(8-9-22(19)30-12-5-7-18(26(30)34)6-3-2-4-13-32)31-16-21(37-27(31)35)15-29-25(33)23-10-11-24(28)38-23/h5,7-12,14,21,32H,2-4,6,13,15-17H2,1H3,(H,29,33)/t21-/m0/s1.

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

5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 560.07 g/mol, XLogP of 4.16, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[4-[3-(5-hydroxypentyl)-2-oxo-1-pyridinyl]-3-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71023696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).