5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C26H29ClN4O6S — CID 91386440

About 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 91386440) has the molecular formula C26H29ClN4O6S and a molecular weight of 561.06 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 91386440
• Molecular Formula: C26H29ClN4O6S
• Molecular Weight: 561.06 g/mol
• Exact Mass: 560.15
• IUPAC Name: 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc(C)c1-c1cc[nH]c(=O)c1OCCNCCO
• InChI: InChI=1S/C26H29ClN4O6S/c1-15-11-17(31-14-18(37-26(31)35)13-30-24(33)20-3-4-21(27)38-20)12-16(2)22(15)19-5-6-29-25(34)23(19)36-10-8-28-7-9-32/h3-6,11-12,18,28,32H,7-10,13-14H2,1-2H3,(H,29,34)(H,30,33)/t18-/m0/s1
• InChIKey: HPKKIXAEXDJTIL-SFHVURJKSA-N
• XLogP: 3.09
• TPSA: 132.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.06
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	4
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-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 91386440) is 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-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-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc(C)c1-c1cc[nH]c(=O)c1OCCNCCO.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is HPKKIXAEXDJTIL-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29ClN4O6S/c1-15-11-17(31-14-18(37-26(31)35)13-30-24(33)20-3-4-21(27)38-20)12-16(2)22(15)19-5-6-29-25(34)23(19)36-10-8-28-7-9-32/h3-6,11-12,18,28,32H,7-10,13-14H2,1-2H3,(H,29,34)(H,30,33)/t18-/m0/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 561.06 g/mol, XLogP of 3.09, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91386440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).