N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C29H35ClFN5O7S — CID 25159769

About N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 25159769) has the molecular formula C29H35ClFN5O7S and a molecular weight of 652.15 g/mol. Its IUPAC name is N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 25159769
• Molecular Formula: C29H35ClFN5O7S
• Molecular Weight: 652.15 g/mol
• Exact Mass: 651.19
• IUPAC Name: N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CC(C)[C@H](N)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C29H35ClFN5O7S/c1-17(2)26(32)27(39)33-10-4-3-5-24(37)36(28(40)22-8-9-23(30)44-22)15-19-14-35(29(41)43-19)21-7-6-18(13-20(21)31)34-11-12-42-16-25(34)38/h6-9,13,17,19,26H,3-5,10-12,14-16,32H2,1-2H3,(H,33,39)/t19-,26+/m1/s1
• InChIKey: FVDPTLRDSAMLQW-BCHFMIIMSA-N
• XLogP: 3.17
• TPSA: 151.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.15
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 25159769) is N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CC(C)[C@H](N)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is FVDPTLRDSAMLQW-BCHFMIIMSA-N. The full InChI is InChI=1S/C29H35ClFN5O7S/c1-17(2)26(32)27(39)33-10-4-3-5-24(37)36(28(40)22-8-9-23(30)44-22)15-19-14-35(29(41)43-19)21-7-6-18(13-20(21)31)34-11-12-42-16-25(34)38/h6-9,13,17,19,26H,3-5,10-12,14-16,32H2,1-2H3,(H,33,39)/t19-,26+/m1/s1.

What are the key properties of N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 652.15 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25159769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).