(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide

C16H14N2O2S — CID 722352

IUPAC(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESN#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2
InChIInChI=1S/C16H14N2O2S/c17-10-13-12-5-1-2-6-14(12)21-16(13)18-15(19)8-7-11-4-3-9-20-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)/b8-7+
InChIKeySDFIOFKDADNBDN-BQYQJAHWSA-N
MW298.37 g/mol
LogP3.74
Rot. Bonds3

About (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 722352) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID722352
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESN#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2
InChIInChI=1S/C16H14N2O2S/c17-10-13-12-5-1-2-6-14(12)21-16(13)18-15(19)8-7-11-4-3-9-20-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)/b8-7+
InChIKeySDFIOFKDADNBDN-BQYQJAHWSA-N
XLogP3.74
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide with MolForge

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-furamide
CID 793579
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 661197
N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methyl-3-furamide
CID 2862590
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-2-furamide
CID 651143
2-(3-(Furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 667885
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
CID 667938
(E)-ethyl 2-(3-(furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
CID 722201
(E)-2-(3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 874463
(2E)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(5-methyl(2-furyl))prop-2-enamide
CID 2104934
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(5-ethyl-2-furyl)propanamide
CID 944686
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-(2-furylmethyl)ethanediamide
CID 2978810

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 722352) is (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide is N#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2.
What is the InChIKey of (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SDFIOFKDADNBDN-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-10-13-12-5-1-2-6-14(12)21-16(13)18-15(19)8-7-11-4-3-9-20-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)/b8-7+.
What are the key properties of (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 722352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).