5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C21H21ClFN3O6S — CID 73332698

IUPAC5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2OCCF)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C21H21ClFN3O6S/c22-18-4-3-17(33-18)20(28)24-10-14-11-26(21(29)32-14)15-2-1-13(9-16(15)31-7-5-23)25-6-8-30-12-19(25)27/h1-4,9,14H,5-8,10-12H2,(H,24,28)/t14-/m0/s1
InChIKeyLCPVACFDEYSLAN-AWEZNQCLSA-N
MW497.93 g/mol
LogP2.87
Rot. Bonds8

About 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 73332698) has the molecular formula C21H21ClFN3O6S and a molecular weight of 497.93 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID73332698
Molecular FormulaC21H21ClFN3O6S
Molecular Weight497.93 g/mol
Exact Mass497.08
IUPAC Name5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2OCCF)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C21H21ClFN3O6S/c22-18-4-3-17(33-18)20(28)24-10-14-11-26(21(29)32-14)15-2-1-13(9-16(15)31-7-5-23)25-6-8-30-12-19(25)27/h1-4,9,14H,5-8,10-12H2,(H,24,28)/t14-/m0/s1
InChIKeyLCPVACFDEYSLAN-AWEZNQCLSA-N
XLogP2.87
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 144576628
5-chloro-N-[[3-(3-chloro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
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CID 73330489
5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 123752701
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
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5-chloro-N-[[3-[3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 118150777
N-[[(3S,3aS)-1-oxo-8-(3-oxomorpholin-4-yl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[4,3-d][1,5]benzoxazepin-3-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 91826230
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CID 118713029
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CID 21070697
5-chloro-N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070746
5-chloro-N-[[(4R,5S)-4-hydroxy-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 94005071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 73332698) is 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2OCCF)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is LCPVACFDEYSLAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21ClFN3O6S/c22-18-4-3-17(33-18)20(28)24-10-14-11-26(21(29)32-14)15-2-1-13(9-16(15)31-7-5-23)25-6-8-30-12-19(25)27/h1-4,9,14H,5-8,10-12H2,(H,24,28)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 497.93 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 73332698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).