N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H21FN4O5S — CID 11477249

IUPACN-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CS(=O)(=O)C[C@@H]54)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H21FN4O5S/c1-13(29)26-8-16-9-28(22(30)33-16)15-3-4-17(20(24)6-15)14-2-5-21(27-7-14)23(12-25)18-10-34(31,32)11-19(18)23/h2-7,16,18-19H,8-11H2,1H3,(H,26,29)/t16-,18-,19+,23?/m0/s1
InChIKeyVPKPIQMFYZFSAU-UNDBCUNFSA-N
MW484.51 g/mol
LogP1.78
Rot. Bonds5

About N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11477249) has the molecular formula C23H21FN4O5S and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11477249
Molecular FormulaC23H21FN4O5S
Molecular Weight484.51 g/mol
Exact Mass484.12
IUPAC NameN-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CS(=O)(=O)C[C@@H]54)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H21FN4O5S/c1-13(29)26-8-16-9-28(22(30)33-16)15-3-4-17(20(24)6-15)14-2-5-21(27-7-14)23(12-25)18-10-34(31,32)11-19(18)23/h2-7,16,18-19H,8-11H2,1H3,(H,26,29)/t16-,18-,19+,23?/m0/s1
InChIKeyVPKPIQMFYZFSAU-UNDBCUNFSA-N
XLogP1.78
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[3-[4-[6-[1-[(dimethylamino)methyl]cyclopropyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72980514
N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68616391
tert-butyl 6-cyano-6-[5-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 68616340
4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyanobenzamide
CID 74381893
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 91459908
(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 71048307
N-[[3-[4-(4-carbamimidoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098860
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(5-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 71048350
N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155532476

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11477249) is N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CS(=O)(=O)C[C@@H]54)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VPKPIQMFYZFSAU-UNDBCUNFSA-N. The full InChI is InChI=1S/C23H21FN4O5S/c1-13(29)26-8-16-9-28(22(30)33-16)15-3-4-17(20(24)6-15)14-2-5-21(27-7-14)23(12-25)18-10-34(31,32)11-19(18)23/h2-7,16,18-19H,8-11H2,1H3,(H,26,29)/t16-,18-,19+,23?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 484.51 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11477249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).