2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide

C24H32FN5O6S — CID 157354978

About 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide

2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide (PubChem CID 157354978) has the molecular formula C24H32FN5O6S and a molecular weight of 537.61 g/mol. Its IUPAC name is 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide
• PubChem CID: 157354978
• Molecular Formula: C24H32FN5O6S
• Molecular Weight: 537.61 g/mol
• Exact Mass: 537.21
• IUPAC Name: 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide
• SMILES: CC(=O)CC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)C(CS)NC(C)=O)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H32FN5O6S/c1-15(31)3-5-18-13-30(24(35)36-18)17-4-6-21(19(25)11-17)28-7-9-29(10-8-28)22(33)12-26-23(34)20(14-37)27-16(2)32/h4,6,11,18,20,37H,3,5,7-10,12-14H2,1-2H3,(H,26,34)(H,27,32)/t18-,20?/m0/s1
• InChIKey: COAMMSQKJZXVGU-LROBGIAVSA-N
• XLogP: 0.72
• TPSA: 128.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.61
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide?

The IUPAC name of 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide (CID 157354978) is 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide.

What is the SMILES notation for 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide?

The canonical SMILES for 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide is CC(=O)CC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)C(CS)NC(C)=O)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide?

The InChIKey is COAMMSQKJZXVGU-LROBGIAVSA-N. The full InChI is InChI=1S/C24H32FN5O6S/c1-15(31)3-5-18-13-30(24(35)36-18)17-4-6-21(19(25)11-17)28-7-9-29(10-8-28)22(33)12-26-23(34)20(14-37)27-16(2)32/h4,6,11,18,20,37H,3,5,7-10,12-14H2,1-2H3,(H,26,34)(H,27,32)/t18-,20?/m0/s1.

What are the key properties of 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide?

2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide has a molecular weight of 537.61 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 157354978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).