5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C19H19ClFN3O5S2 — CID 10228089

IUPAC5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClFN3O5S2/c20-17-4-3-16(30-17)18(25)22-10-13-11-24(19(26)29-13)12-1-2-15(14(21)9-12)23-5-7-31(27,28)8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1
InChIKeyAHQZLOQYCWPLBA-ZDUSSCGKSA-N
MW487.96 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 10228089) has the molecular formula C19H19ClFN3O5S2 and a molecular weight of 487.96 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID10228089
Molecular FormulaC19H19ClFN3O5S2
Molecular Weight487.96 g/mol
Exact Mass487.04
IUPAC Name5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClFN3O5S2/c20-17-4-3-16(30-17)18(25)22-10-13-11-24(19(26)29-13)12-1-2-15(14(21)9-12)23-5-7-31(27,28)8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1
InChIKeyAHQZLOQYCWPLBA-ZDUSSCGKSA-N
XLogP2.53
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.96
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 10228089) is 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is AHQZLOQYCWPLBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClFN3O5S2/c20-17-4-3-16(30-17)18(25)22-10-13-11-24(19(26)29-13)12-1-2-15(14(21)9-12)23-5-7-31(27,28)8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 487.96 g/mol, XLogP of 2.53, 5 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-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 10228089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).