N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide

C22H24F2N4O5S — CID 163834437

IUPACN-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide
SMILESCC(=S)NCC1CN(c2cc(F)c(NC3=CC(C)C(NC(=O)CO)C=CC3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24F2N4O5S/c1-11-5-18(19(30)4-3-17(11)26-20(31)10-29)27-21-15(23)6-13(7-16(21)24)28-9-14(33-22(28)32)8-25-12(2)34/h3-7,11,14,17,27,29H,8-10H2,1-2H3,(H,25,34)(H,26,31)
InChIKeyOGMIISZSEYLWLN-UHFFFAOYSA-N
MW494.52 g/mol
LogP1.77
Rot. Bonds7

About N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide

N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide (PubChem CID 163834437) has the molecular formula C22H24F2N4O5S and a molecular weight of 494.52 g/mol. Its IUPAC name is N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide
PubChem CID163834437
Molecular FormulaC22H24F2N4O5S
Molecular Weight494.52 g/mol
Exact Mass494.14
IUPAC NameN-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide
SMILESCC(=S)NCC1CN(c2cc(F)c(NC3=CC(C)C(NC(=O)CO)C=CC3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24F2N4O5S/c1-11-5-18(19(30)4-3-17(11)26-20(31)10-29)27-21-15(23)6-13(7-16(21)24)28-9-14(33-22(28)32)8-25-12(2)34/h3-7,11,14,17,27,29H,8-10H2,1-2H3,(H,25,34)(H,26,31)
InChIKeyOGMIISZSEYLWLN-UHFFFAOYSA-N
XLogP1.77
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide with MolForge

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Related Compounds

N-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-methylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 18629639
ethyl 6-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]azulene-1-carboxylate
CID 143555303
N-[[3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 22181752
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[(5S)-3-[3,5-difluoro-4-[(4-morpholin-4-yl-5-oxo-7-propan-2-ylcyclohepta-1,3,6-trien-1-yl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 143555144
N-[[(5S)-3-[3-fluoro-4-[1-(2-hydroxyacetyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 25252719
N-[[(5S)-3-[3-fluoro-4-[[4-[(E)-3-hydroxyprop-1-enyl]-7-oxocyclohepta-1,3,5-trien-1-yl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 143555085
N-[[(5S)-3-[3-fluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58781031
N-[[(5S)-3-[3-fluoro-4-(2-sulfanylidene-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58619730
N-[[(5S)-3-[3-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 142669207
methyl N-[(1R,5S)-3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 59996387
N-[[(5S)-3-[4-[[4-(dimethylamino)-7-hydroxycyclohepta-1,3,5-trien-1-yl]amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroethanethioamide
CID 143555253

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide?
The IUPAC name of N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide (CID 163834437) is N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide is CC(=S)NCC1CN(c2cc(F)c(NC3=CC(C)C(NC(=O)CO)C=CC3=O)c(F)c2)C(=O)O1.
What is the InChIKey of N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide?
The InChIKey is OGMIISZSEYLWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O5S/c1-11-5-18(19(30)4-3-17(11)26-20(31)10-29)27-21-15(23)6-13(7-16(21)24)28-9-14(33-22(28)32)8-25-12(2)34/h3-7,11,14,17,27,29H,8-10H2,1-2H3,(H,25,34)(H,26,31).
What are the key properties of N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide?
N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide has a molecular weight of 494.52 g/mol, XLogP of 1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluoroanilino]-7-methyl-4-oxocyclohepta-2,5-dien-1-yl]-2-hydroxyacetamide is sourced from PubChem (CID 163834437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).