N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide

C24H26FN3O4S — CID 6482304

IUPACN-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN3O4S/c25-20-14-18(6-7-21(20)27-10-12-33-13-11-27)28-16-19(32-24(28)31)15-26-23(30)9-8-22(29)17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,30)/t19-/m0/s1
InChIKeyREJIAARMKPXSQK-IBGZPJMESA-N
MW471.55 g/mol
LogP3.48
Rot. Bonds8

About N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide

N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 6482304) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID6482304
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC NameN-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN3O4S/c25-20-14-18(6-7-21(20)27-10-12-33-13-11-27)28-16-19(32-24(28)31)15-26-23(30)9-8-22(29)17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,30)/t19-/m0/s1
InChIKeyREJIAARMKPXSQK-IBGZPJMESA-N
XLogP3.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide (CID 6482304) is N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is REJIAARMKPXSQK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26FN3O4S/c25-20-14-18(6-7-21(20)27-10-12-33-13-11-27)28-16-19(32-24(28)31)15-26-23(30)9-8-22(29)17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,30)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 471.55 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 6482304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).