(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

C19H23N3O3S — CID 134709417

IUPAC(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCCc1csc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)n1
InChIInChI=1S/C19H23N3O3S/c1-4-13-11-26-15(21-13)9-20-19(24)18-17(22(3)16(23)10-25-18)14-8-6-5-7-12(14)2/h5-8,11,17-18H,4,9-10H2,1-3H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyIJUVHFIODQKIPT-MSOLQXFVSA-N
MW373.48 g/mol
LogP2.23
Rot. Bonds5

About (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134709417) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID134709417
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCCc1csc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)n1
InChIInChI=1S/C19H23N3O3S/c1-4-13-11-26-15(21-13)9-20-19(24)18-17(22(3)16(23)10-25-18)14-8-6-5-7-12(14)2/h5-8,11,17-18H,4,9-10H2,1-3H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyIJUVHFIODQKIPT-MSOLQXFVSA-N
XLogP2.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 134709417) is (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is CCc1csc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)n1.
What is the InChIKey of (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is IJUVHFIODQKIPT-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-13-11-26-15(21-13)9-20-19(24)18-17(22(3)16(23)10-25-18)14-8-6-5-7-12(14)2/h5-8,11,17-18H,4,9-10H2,1-3H3,(H,20,24)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).