5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H27ClN2O6S — CID 123658354

IUPAC5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCCOC1=C(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)CCC(CCCC(=O)CO)=C1
InChIInChI=1S/C22H27ClN2O6S/c1-2-30-18-10-14(4-3-5-15(27)13-26)6-7-17(18)25-12-16(31-22(25)29)11-24-21(28)19-8-9-20(23)32-19/h8-10,16,26H,2-7,11-13H2,1H3,(H,24,28)
InChIKeyRMONWTVFGFOHEV-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.65
Rot. Bonds11

About 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 123658354) has the molecular formula C22H27ClN2O6S and a molecular weight of 482.99 g/mol. Its IUPAC name is 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID123658354
Molecular FormulaC22H27ClN2O6S
Molecular Weight482.99 g/mol
Exact Mass482.13
IUPAC Name5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCCOC1=C(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)CCC(CCCC(=O)CO)=C1
InChIInChI=1S/C22H27ClN2O6S/c1-2-30-18-10-14(4-3-5-15(27)13-26)6-7-17(18)25-12-16(31-22(25)29)11-24-21(28)19-8-9-20(23)32-19/h8-10,16,26H,2-7,11-13H2,1H3,(H,24,28)
InChIKeyRMONWTVFGFOHEV-UHFFFAOYSA-N
XLogP3.65
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
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
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 57496659
5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070752
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
N-[[3-(4-amino-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 90654078
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 25167065
5-chloro-N-[[(5S)-3-[4-[3-(methylamino)propylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411228

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 123658354) is 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CCOC1=C(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)CCC(CCCC(=O)CO)=C1.
What is the InChIKey of 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is RMONWTVFGFOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O6S/c1-2-30-18-10-14(4-3-5-15(27)13-26)6-7-17(18)25-12-16(31-22(25)29)11-24-21(28)19-8-9-20(23)32-19/h8-10,16,26H,2-7,11-13H2,1H3,(H,24,28).
What are the key properties of 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 482.99 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 123658354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).