N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H27FN4O5S — CID 10028535

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H27FN4O5S/c1-16-3-6-20(7-4-16)34(31,32)27-11-9-26(10-12-27)22-8-5-18(13-21(22)24)28-15-19(33-23(28)30)14-25-17(2)29/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,29)/t19-/m0/s1
InChIKeyZUIGQRKRMMZNCD-IBGZPJMESA-N
MW490.56 g/mol
LogP2.11
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10028535) has the molecular formula C23H27FN4O5S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10028535
Molecular FormulaC23H27FN4O5S
Molecular Weight490.56 g/mol
Exact Mass490.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H27FN4O5S/c1-16-3-6-20(7-4-16)34(31,32)27-11-9-26(10-12-27)22-8-5-18(13-21(22)24)28-15-19(33-23(28)30)14-25-17(2)29/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,29)/t19-/m0/s1
InChIKeyZUIGQRKRMMZNCD-IBGZPJMESA-N
XLogP2.11
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.11
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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Related Compounds

N-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-4-methyl-benzenesulfonamide
CID 1316232
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
N1-(4-fluorophenyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 18574829
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 162657934
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 162662046
N-(4-fluorophenyl)-N'-(2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethyl)ethanediamide
CID 2914434
2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[[(2S)-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]acetamide
CID 74220915
2-[(4-Fluoro-benzenesulfonyl)-isopropyl-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide
CID 76072303
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide
CID 76072304
ethyl 4-{N-(2-fluorophenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 1129530
N-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide
CID 1210756

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10028535) is N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZUIGQRKRMMZNCD-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27FN4O5S/c1-16-3-6-20(7-4-16)34(31,32)27-11-9-26(10-12-27)22-8-5-18(13-21(22)24)28-15-19(33-23(28)30)14-25-17(2)29/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,29)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 2.11, 6 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-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10028535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).