N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C29H34FN5O4S — CID 155522037

About N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 155522037) has the molecular formula C29H34FN5O4S and a molecular weight of 567.69 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 155522037
• Molecular Formula: C29H34FN5O4S
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.23
• IUPAC Name: N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CCN(CC)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cc2)NC1=S
• InChI: InChI=1S/C29H34FN5O4S/c1-4-33(5-2)13-6-14-34-27(37)26(32-28(34)40)15-20-7-9-21(10-8-20)24-12-11-22(16-25(24)30)35-18-23(39-29(35)38)17-31-19(3)36/h7-12,15-16,23H,4-6,13-14,17-18H2,1-3H3,(H,31,36)(H,32,40)/b26-15-/t23-/m0/s1
• InChIKey: AQGCOQSDWZEMCQ-VNAAUWNKSA-N
• XLogP: 3.74
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 155522037) is N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCN(CC)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cc2)NC1=S.

What is the InChIKey of N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is AQGCOQSDWZEMCQ-VNAAUWNKSA-N. The full InChI is InChI=1S/C29H34FN5O4S/c1-4-33(5-2)13-6-14-34-27(37)26(32-28(34)40)15-20-7-9-21(10-8-20)24-12-11-22(16-25(24)30)35-18-23(39-29(35)38)17-31-19(3)36/h7-12,15-16,23H,4-6,13-14,17-18H2,1-3H3,(H,31,36)(H,32,40)/b26-15-/t23-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 567.69 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[(Z)-[1-[3-(diethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 155522037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).