N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide

C27H27N3O5S — CID 93202336

About N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide

N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 93202336) has the molecular formula C27H27N3O5S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
• PubChem CID: 93202336
• Molecular Formula: C27H27N3O5S
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.17
• IUPAC Name: N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4cccs4)c3)[C@H]2C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C27H27N3O5S/c1-18-7-9-19(10-8-18)17-30-23(26(32)29-11-13-34-14-12-29)24(35-27(30)33)20-4-2-5-21(16-20)28-25(31)22-6-3-15-36-22/h2-10,15-16,23-24H,11-14,17H2,1H3,(H,28,31)/t23-,24-/m0/s1
• InChIKey: HDPULXWNJJKOHO-ZEQRLZLVSA-N
• XLogP: 4.23
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (CID 93202336) is N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4cccs4)c3)[C@H]2C(=O)N2CCOCC2)cc1.

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

The InChIKey is HDPULXWNJJKOHO-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H27N3O5S/c1-18-7-9-19(10-8-18)17-30-23(26(32)29-11-13-34-14-12-29)24(35-27(30)33)20-4-2-5-21(16-20)28-25(31)22-6-3-15-36-22/h2-10,15-16,23-24H,11-14,17H2,1H3,(H,28,31)/t23-,24-/m0/s1.

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

N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 93202336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).