(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide

C14H9FN2OS — CID 8915005

IUPAC(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESN#Cc1ccsc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H9FN2OS/c15-12-4-1-10(2-5-12)3-6-13(18)17-14-11(9-16)7-8-19-14/h1-8H,(H,17,18)/b6-3+
InChIKeyXDYPNTAQQWOBED-ZZXKWVIFSA-N
MW272.30 g/mol
LogP3.41
Rot. Bonds3

About (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 8915005) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID8915005
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESN#Cc1ccsc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H9FN2OS/c15-12-4-1-10(2-5-12)3-6-13(18)17-14-11(9-16)7-8-19-14/h1-8H,(H,17,18)/b6-3+
InChIKeyXDYPNTAQQWOBED-ZZXKWVIFSA-N
XLogP3.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552471
(E)-N-(3-cyanothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8914994
(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 18285555
(Z)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 92897211
N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
CID 9415681
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 3968436
N-(3-cyanothiophen-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 18586001
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996560
N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide
CID 140720499
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide (CID 8915005) is (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide is N#Cc1ccsc1NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is XDYPNTAQQWOBED-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-12-4-1-10(2-5-12)3-6-13(18)17-14-11(9-16)7-8-19-14/h1-8H,(H,17,18)/b6-3+.
What are the key properties of (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8915005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).