N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide

C27H27FN4O4S — CID 93203395

About N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide

N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 93203395) has the molecular formula C27H27FN4O4S and a molecular weight of 522.60 g/mol. Its IUPAC name is N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
• PubChem CID: 93203395
• Molecular Formula: C27H27FN4O4S
• Molecular Weight: 522.60 g/mol
• Exact Mass: 522.17
• IUPAC Name: N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
• SMILES: CN1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1
• InChI: InChI=1S/C27H27FN4O4S/c1-30-11-13-31(14-12-30)26(34)23-24(36-27(35)32(23)17-18-4-2-5-20(28)16-18)19-7-9-21(10-8-19)29-25(33)22-6-3-15-37-22/h2-10,15-16,23-24H,11-14,17H2,1H3,(H,29,33)/t23-,24-/m1/s1
• InChIKey: GJUSIWZWAWOWJO-DNQXCXABSA-N
• XLogP: 3.98
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.60
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (CID 93203395) is N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is CN1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1.

What is the InChIKey of N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?

The InChIKey is GJUSIWZWAWOWJO-DNQXCXABSA-N. The full InChI is InChI=1S/C27H27FN4O4S/c1-30-11-13-31(14-12-30)26(34)23-24(36-27(35)32(23)17-18-4-2-5-20(28)16-18)19-7-9-21(10-8-19)29-25(33)22-6-3-15-37-22/h2-10,15-16,23-24H,11-14,17H2,1H3,(H,29,33)/t23-,24-/m1/s1.

What are the key properties of N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?

N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 522.60 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 93203395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).