(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

C16H23N3O3S — CID 110305491

IUPAC(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23N3O3S/c1-13(11-14-3-2-10-23-14)16(21)18-12-15(20)17-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9,12H2,1H3,(H,17,20)(H,18,21)/b13-11+
InChIKeyRIIJSPANYDMOCR-ACCUITESSA-N
MW337.44 g/mol
LogP0.72
Rot. Bonds7

About (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 110305491) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID110305491
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23N3O3S/c1-13(11-14-3-2-10-23-14)16(21)18-12-15(20)17-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9,12H2,1H3,(H,17,20)(H,18,21)/b13-11+
InChIKeyRIIJSPANYDMOCR-ACCUITESSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 110305494
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 90499911
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpropanamide
CID 110296595
N-(2-morpholin-4-ylethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 39717880
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
N-(2-morpholin-4-ylethyl)-3-phenyl-3-thiophen-2-ylprop-2-enamide
CID 66602448

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (CID 110305491) is (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is C/C(=C\c1cccs1)C(=O)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RIIJSPANYDMOCR-ACCUITESSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13(11-14-3-2-10-23-14)16(21)18-12-15(20)17-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9,12H2,1H3,(H,17,20)(H,18,21)/b13-11+.
What are the key properties of (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 337.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110305491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).