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

C19H22N2O3S — CID 134701148

IUPAC(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)s1
InChIInChI=1S/C19H22N2O3S/c1-12-6-4-5-7-15(12)17-18(24-11-16(22)21(17)3)19(23)20-10-14-9-8-13(2)25-14/h4-9,17-18H,10-11H2,1-3H3,(H,20,23)/t17-,18+/m1/s1
InChIKeyXEZJMFXZWRHEPO-MSOLQXFVSA-N
MW358.46 g/mol
LogP2.58
Rot. Bonds4

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

(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide (PubChem CID 134701148) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide
PubChem CID134701148
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)s1
InChIInChI=1S/C19H22N2O3S/c1-12-6-4-5-7-15(12)17-18(24-11-16(22)21(17)3)19(23)20-10-14-9-8-13(2)25-14/h4-9,17-18H,10-11H2,1-3H3,(H,20,23)/t17-,18+/m1/s1
InChIKeyXEZJMFXZWRHEPO-MSOLQXFVSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide (CID 134701148) is (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide is Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)s1.
What is the InChIKey of (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide?
The InChIKey is XEZJMFXZWRHEPO-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-6-4-5-7-15(12)17-18(24-11-16(22)21(17)3)19(23)20-10-14-9-8-13(2)25-14/h4-9,17-18H,10-11H2,1-3H3,(H,20,23)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide?
(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134701148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).