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

C20H17ClF3N3O5S — CID 11562451

IUPAC5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(C(F)(F)F)c2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C20H17ClF3N3O5S/c21-16-4-3-15(33-16)18(29)25-8-12-9-27(19(30)32-12)11-1-2-14(13(7-11)20(22,23)24)26-5-6-31-10-17(26)28/h1-4,7,12H,5-6,8-10H2,(H,25,29)/t12-/m0/s1
InChIKeyDRBHMPWPYAXXIX-LBPRGKRZSA-N
MW503.89 g/mol
LogP3.54
Rot. Bonds5

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

5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 11562451) has the molecular formula C20H17ClF3N3O5S and a molecular weight of 503.89 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID11562451
Molecular FormulaC20H17ClF3N3O5S
Molecular Weight503.89 g/mol
Exact Mass503.05
IUPAC Name5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(C(F)(F)F)c2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C20H17ClF3N3O5S/c21-16-4-3-15(33-16)18(29)25-8-12-9-27(19(30)32-12)11-1-2-14(13(7-11)20(22,23)24)26-5-6-31-10-17(26)28/h1-4,7,12H,5-6,8-10H2,(H,25,29)/t12-/m0/s1
InChIKeyDRBHMPWPYAXXIX-LBPRGKRZSA-N
XLogP3.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.89
LogP ≤ 53.54
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-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 11562451) is 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(C(F)(F)F)c2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is DRBHMPWPYAXXIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClF3N3O5S/c21-16-4-3-15(33-16)18(29)25-8-12-9-27(19(30)32-12)11-1-2-14(13(7-11)20(22,23)24)26-5-6-31-10-17(26)28/h1-4,7,12H,5-6,8-10H2,(H,25,29)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 503.89 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11562451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).