(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C19H22N2O4S — CID 134709300

IUPAC(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1ccsc1CN(CCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-13-7-10-26-15(13)11-21(8-9-22)19(24)18-17(20-16(23)12-25-18)14-5-3-2-4-6-14/h2-7,10,17-18,22H,8-9,11-12H2,1H3,(H,20,23)/t17-,18+/m1/s1
InChIKeySNNOBSITZCNGJK-MSOLQXFVSA-N
MW374.46 g/mol
LogP1.63
Rot. Bonds6

About (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134709300) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134709300
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1ccsc1CN(CCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-13-7-10-26-15(13)11-21(8-9-22)19(24)18-17(20-16(23)12-25-18)14-5-3-2-4-6-14/h2-7,10,17-18,22H,8-9,11-12H2,1H3,(H,20,23)/t17-,18+/m1/s1
InChIKeySNNOBSITZCNGJK-MSOLQXFVSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134709300) is (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is Cc1ccsc1CN(CCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is SNNOBSITZCNGJK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-7-10-26-15(13)11-21(8-9-22)19(24)18-17(20-16(23)12-25-18)14-5-3-2-4-6-14/h2-7,10,17-18,22H,8-9,11-12H2,1H3,(H,20,23)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134709300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).