N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H19FN4O5S — CID 10432351

IUPACN-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(N)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H19FN4O5S/c1-11(24)21-9-14-10-23(18(25)28-14)13-4-7-17(16(19)8-13)22-29(26,27)15-5-2-12(20)3-6-15/h2-8,14,22H,9-10,20H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeySLPSNESPCUMKSP-AWEZNQCLSA-N
MW422.44 g/mol
LogP1.67
Rot. Bonds6

About N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10432351) has the molecular formula C18H19FN4O5S and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10432351
Molecular FormulaC18H19FN4O5S
Molecular Weight422.44 g/mol
Exact Mass422.11
IUPAC NameN-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(N)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H19FN4O5S/c1-11(24)21-9-14-10-23(18(25)28-14)13-4-7-17(16(19)8-13)22-29(26,27)15-5-2-12(20)3-6-15/h2-8,14,22H,9-10,20H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeySLPSNESPCUMKSP-AWEZNQCLSA-N
XLogP1.67
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[4-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10051293
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10904865

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10432351) is N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(N)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SLPSNESPCUMKSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN4O5S/c1-11(24)21-9-14-10-23(18(25)28-14)13-4-7-17(16(19)8-13)22-29(26,27)15-5-2-12(20)3-6-15/h2-8,14,22H,9-10,20H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 422.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10432351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).