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

C20H19Cl2N3O5S — CID 21070697

IUPAC5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1CN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2Cl)C(=O)CO1
InChIInChI=1S/C20H19Cl2N3O5S/c1-11-8-25(18(26)10-29-11)15-3-2-12(6-14(15)21)24-9-13(30-20(24)28)7-23-19(27)16-4-5-17(22)31-16/h2-6,11,13H,7-10H2,1H3,(H,23,27)
InChIKeyCINLGKARBZRUHA-UHFFFAOYSA-N
MW484.36 g/mol
LogP3.56
Rot. Bonds5

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

5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 21070697) has the molecular formula C20H19Cl2N3O5S and a molecular weight of 484.36 g/mol. Its IUPAC name is 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID21070697
Molecular FormulaC20H19Cl2N3O5S
Molecular Weight484.36 g/mol
Exact Mass483.04
IUPAC Name5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1CN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2Cl)C(=O)CO1
InChIInChI=1S/C20H19Cl2N3O5S/c1-11-8-25(18(26)10-29-11)15-3-2-12(6-14(15)21)24-9-13(30-20(24)28)7-23-19(27)16-4-5-17(22)31-16/h2-6,11,13H,7-10H2,1H3,(H,23,27)
InChIKeyCINLGKARBZRUHA-UHFFFAOYSA-N
XLogP3.56
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 21070697) is 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CC1CN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2Cl)C(=O)CO1.
What is the InChIKey of 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CINLGKARBZRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O5S/c1-11-8-25(18(26)10-29-11)15-3-2-12(6-14(15)21)24-9-13(30-20(24)28)7-23-19(27)16-4-5-17(22)31-16/h2-6,11,13H,7-10H2,1H3,(H,23,27).
What are the key properties of 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 484.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 21070697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).