(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

C19H22N2O2S — CID 95849155

IUPAC(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESC=CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CNCCO1
InChIInChI=1S/C19H22N2O2S/c1-2-8-21-18(22)19(14-20-9-10-23-19)12-15-5-3-4-6-17(15)16-7-11-24-13-16/h2-7,11,13,20H,1,8-10,12,14H2,(H,21,22)/t19-/m0/s1
InChIKeyPEQVLTGYXYOSGZ-IBGZPJMESA-N
MW342.46 g/mol
LogP2.62
Rot. Bonds6

About (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 95849155) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID95849155
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESC=CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CNCCO1
InChIInChI=1S/C19H22N2O2S/c1-2-8-21-18(22)19(14-20-9-10-23-19)12-15-5-3-4-6-17(15)16-7-11-24-13-16/h2-7,11,13,20H,1,8-10,12,14H2,(H,21,22)/t19-/m0/s1
InChIKeyPEQVLTGYXYOSGZ-IBGZPJMESA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 95849155) is (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CNCCO1.
What is the InChIKey of (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is PEQVLTGYXYOSGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-8-21-18(22)19(14-20-9-10-23-19)12-15-5-3-4-6-17(15)16-7-11-24-13-16/h2-7,11,13,20H,1,8-10,12,14H2,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95849155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).