(7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide

C23H20ClN3O5S — CID 59744324

IUPAC(7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide
SMILESCOc1ccc(-c2c(Cl)c(CN3C(=O)COC3=O)nc3sc4c(c23)CC[C@@H](C(N)=O)C4)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-31-13-5-2-11(3-6-13)18-19-14-7-4-12(21(25)29)8-16(14)33-22(19)26-15(20(18)24)9-27-17(28)10-32-23(27)30/h2-3,5-6,12H,4,7-10H2,1H3,(H2,25,29)/t12-/m1/s1
InChIKeyHAYFGNKDVIKPFT-GFCCVEGCSA-N
MW485.95 g/mol
LogP3.69
Rot. Bonds5

About (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide

(7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide (PubChem CID 59744324) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide
PubChem CID59744324
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name(7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide
SMILESCOc1ccc(-c2c(Cl)c(CN3C(=O)COC3=O)nc3sc4c(c23)CC[C@@H](C(N)=O)C4)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-31-13-5-2-11(3-6-13)18-19-14-7-4-12(21(25)29)8-16(14)33-22(19)26-15(20(18)24)9-27-17(28)10-32-23(27)30/h2-3,5-6,12H,4,7-10H2,1H3,(H2,25,29)/t12-/m1/s1
InChIKeyHAYFGNKDVIKPFT-GFCCVEGCSA-N
XLogP3.69
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide (CID 59744324) is (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide is COc1ccc(-c2c(Cl)c(CN3C(=O)COC3=O)nc3sc4c(c23)CC[C@@H](C(N)=O)C4)cc1.
What is the InChIKey of (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide?
The InChIKey is HAYFGNKDVIKPFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c1-31-13-5-2-11(3-6-13)18-19-14-7-4-12(21(25)29)8-16(14)33-22(19)26-15(20(18)24)9-27-17(28)10-32-23(27)30/h2-3,5-6,12H,4,7-10H2,1H3,(H2,25,29)/t12-/m1/s1.
What are the key properties of (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide?
(7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-chloro-2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 59744324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).