N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide

C13H13N3O3S — CID 140720499

IUPACN-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide
SMILESN#Cc1ccsc1NC(=O)C=CC(=O)N1CCOCC1
InChIInChI=1S/C13H13N3O3S/c14-9-10-3-8-20-13(10)15-11(17)1-2-12(18)16-4-6-19-7-5-16/h1-3,8H,4-7H2,(H,15,17)
InChIKeyGIMLQOGRMSNUCD-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.97
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide

N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide (PubChem CID 140720499) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide
PubChem CID140720499
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide
SMILESN#Cc1ccsc1NC(=O)C=CC(=O)N1CCOCC1
InChIInChI=1S/C13H13N3O3S/c14-9-10-3-8-20-13(10)15-11(17)1-2-12(18)16-4-6-19-7-5-16/h1-3,8H,4-7H2,(H,15,17)
InChIKeyGIMLQOGRMSNUCD-UHFFFAOYSA-N
XLogP0.97
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711621
N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2105108
(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide
CID 8914890
(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 42387606
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
3-bromo-N-(3-cyanothiophen-2-yl)prop-2-ynamide
CID 131097695
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 9381121
(E)-N-(3-cyanothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8914994
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide (CID 140720499) is N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide is N#Cc1ccsc1NC(=O)C=CC(=O)N1CCOCC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide?
The InChIKey is GIMLQOGRMSNUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-9-10-3-8-20-13(10)15-11(17)1-2-12(18)16-4-6-19-7-5-16/h1-3,8H,4-7H2,(H,15,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide?
N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide has a molecular weight of 291.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide is sourced from PubChem (CID 140720499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).