(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

C20H24N2O3S — CID 97040862

IUPAC(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@H]1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C20H24N2O3S/c1-15(9-10-16-6-3-2-4-7-16)21-20(24)18-13-25-14-19(23)22(18)12-17-8-5-11-26-17/h2-8,11,15,18H,9-10,12-14H2,1H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyHWAXPGHSJDMBLV-CRAIPNDOSA-N
MW372.49 g/mol
LogP2.61
Rot. Bonds7

About (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 97040862) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
PubChem CID97040862
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@H]1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C20H24N2O3S/c1-15(9-10-16-6-3-2-4-7-16)21-20(24)18-13-25-14-19(23)22(18)12-17-8-5-11-26-17/h2-8,11,15,18H,9-10,12-14H2,1H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyHWAXPGHSJDMBLV-CRAIPNDOSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(4-phenylbutan-2-yl)-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801175
4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 71877725
N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801184
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040881
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71877714
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
CID 97086193
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97105071
(3S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040891
5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one
CID 71801176
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CID 97040862) is (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is C[C@H](CCc1ccccc1)NC(=O)[C@H]1COCC(=O)N1Cc1cccs1.
What is the InChIKey of (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is HWAXPGHSJDMBLV-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(9-10-16-6-3-2-4-7-16)21-20(24)18-13-25-14-19(23)22(18)12-17-8-5-11-26-17/h2-8,11,15,18H,9-10,12-14H2,1H3,(H,21,24)/t15-,18-/m1/s1.
What are the key properties of (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 97040862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).