(5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide

C30H38N4O7S2 — CID 118421565

About (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide

(5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide (PubChem CID 118421565) has the molecular formula C30H38N4O7S2 and a molecular weight of 630.79 g/mol. Its IUPAC name is (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide
• PubChem CID: 118421565
• Molecular Formula: C30H38N4O7S2
• Molecular Weight: 630.79 g/mol
• Exact Mass: 630.22
• IUPAC Name: (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide
• SMILES: CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2cncs2)C(=O)O1)S(=O)(=O)c1cccc(OC)c1
• InChI: InChI=1S/C30H38N4O7S2/c1-4-21(2)16-34(43(38,39)25-12-8-11-23(14-25)40-3)18-27(35)26(13-22-9-6-5-7-10-22)32-29(36)28-19-33(30(37)41-28)17-24-15-31-20-42-24/h5-12,14-15,20-21,26-28,35H,4,13,16-19H2,1-3H3,(H,32,36)/t21-,26+,27-,28+/m1/s1
• InChIKey: LHWRXRCTPMFTNN-SZHXJAFASA-N
• XLogP: 3.30
• TPSA: 138.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.79
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide?

The IUPAC name of (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide (CID 118421565) is (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide is CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2cncs2)C(=O)O1)S(=O)(=O)c1cccc(OC)c1.

What is the InChIKey of (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide?

The InChIKey is LHWRXRCTPMFTNN-SZHXJAFASA-N. The full InChI is InChI=1S/C30H38N4O7S2/c1-4-21(2)16-34(43(38,39)25-12-8-11-23(14-25)40-3)18-27(35)26(13-22-9-6-5-7-10-22)32-29(36)28-19-33(30(37)41-28)17-24-15-31-20-42-24/h5-12,14-15,20-21,26-28,35H,4,13,16-19H2,1-3H3,(H,32,36)/t21-,26+,27-,28+/m1/s1.

What are the key properties of (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide?

(5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide has a molecular weight of 630.79 g/mol, XLogP of 3.30, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-2-oxo-3-(1,3-thiazol-5-ylmethyl)-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 118421565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).