(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide

C17H20N2O2S — CID 129402914

IUPAC(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1ccsc1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H20N2O2S/c20-17(18-8-6-14-7-11-22-13-14)19-9-10-21-16(12-19)15-4-2-1-3-5-15/h1-5,7,11,13,16H,6,8-10,12H2,(H,18,20)/t16-/m1/s1
InChIKeyREFATBWXWSATLZ-MRXNPFEDSA-N
MW316.43 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide

(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide (PubChem CID 129402914) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
PubChem CID129402914
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1ccsc1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H20N2O2S/c20-17(18-8-6-14-7-11-22-13-14)19-9-10-21-16(12-19)15-4-2-1-3-5-15/h1-5,7,11,13,16H,6,8-10,12H2,(H,18,20)/t16-/m1/s1
InChIKeyREFATBWXWSATLZ-MRXNPFEDSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
(2R)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-phenylmorpholine-4-carboxamide
CID 126430853
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
CID 25447592
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide (CID 129402914) is (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide is O=C(NCCc1ccsc1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide?
The InChIKey is REFATBWXWSATLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(18-8-6-14-7-11-22-13-14)19-9-10-21-16(12-19)15-4-2-1-3-5-15/h1-5,7,11,13,16H,6,8-10,12H2,(H,18,20)/t16-/m1/s1.
What are the key properties of (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide?
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129402914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).