(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide

C17H17N3O2S — CID 155801051

IUPAC(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
SMILESCn1cc(-c2ccc(CCNC(=O)/C=C/c3ccco3)s2)cn1
InChIInChI=1S/C17H17N3O2S/c1-20-12-13(11-19-20)16-6-5-15(23-16)8-9-18-17(21)7-4-14-3-2-10-22-14/h2-7,10-12H,8-9H2,1H3,(H,18,21)/b7-4+
InChIKeyRWFAUINTBBDTKO-QPJJXVBHSA-N
MW327.41 g/mol
LogP3.11
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide (PubChem CID 155801051) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
PubChem CID155801051
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
SMILESCn1cc(-c2ccc(CCNC(=O)/C=C/c3ccco3)s2)cn1
InChIInChI=1S/C17H17N3O2S/c1-20-12-13(11-19-20)16-6-5-15(23-16)8-9-18-17(21)7-4-14-3-2-10-22-14/h2-7,10-12H,8-9H2,1H3,(H,18,21)/b7-4+
InChIKeyRWFAUINTBBDTKO-QPJJXVBHSA-N
XLogP3.11
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.11
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

3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide
CID 171137145
(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 119105079
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
CID 155981904
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 171137175
(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126852832
3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 71962615
1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 155801253
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide (CID 155801051) is (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide is Cn1cc(-c2ccc(CCNC(=O)/C=C/c3ccco3)s2)cn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide?
The InChIKey is RWFAUINTBBDTKO-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-12-13(11-19-20)16-6-5-15(23-16)8-9-18-17(21)7-4-14-3-2-10-22-14/h2-7,10-12H,8-9H2,1H3,(H,18,21)/b7-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide has a molecular weight of 327.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 155801051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).