N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H22FN3O4S — CID 11236107

IUPACN-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)c4ccsc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H22FN3O4S/c1-14(27)24-11-18-12-26(22(29)30-18)17-2-3-19(20(23)10-17)15-4-7-25(8-5-15)21(28)16-6-9-31-13-16/h2-4,6,9-10,13,18H,5,7-8,11-12H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyXJSZXAQPUDXDJT-SFHVURJKSA-N
MW443.50 g/mol
LogP3.28
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11236107) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11236107
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)c4ccsc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H22FN3O4S/c1-14(27)24-11-18-12-26(22(29)30-18)17-2-3-19(20(23)10-17)15-4-7-25(8-5-15)21(28)16-6-9-31-13-16/h2-4,6,9-10,13,18H,5,7-8,11-12H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyXJSZXAQPUDXDJT-SFHVURJKSA-N
XLogP3.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
N-[[(5S)-3-[3-fluoro-4-[1-(1-methylpyrrole-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11248076
N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352840
N-[[(5S)-3-[4-(5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352850
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
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 20598820
N-[[(5S)-3-[3-fluoro-4-[4-(thiophene-3-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10322845
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352841
N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625671

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11236107) is N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)c4ccsc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XJSZXAQPUDXDJT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-14(27)24-11-18-12-26(22(29)30-18)17-2-3-19(20(23)10-17)15-4-7-25(8-5-15)21(28)16-6-9-31-13-16/h2-4,6,9-10,13,18H,5,7-8,11-12H2,1H3,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11236107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).