(E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C20H21N3O2S — CID 86266511

IUPAC(E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)/C=C/c2cccs2)c2c1CCC2
InChIInChI=1S/C20H21N3O2S/c1-22-19-8-2-7-17(19)18(21-22)14-23(13-15-5-3-11-25-15)20(24)10-9-16-6-4-12-26-16/h3-6,9-12H,2,7-8,13-14H2,1H3/b10-9+
InChIKeyPKTAZPPERWSEQR-MDZDMXLPSA-N
MW367.47 g/mol
LogP3.81
Rot. Bonds6

About (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 86266511) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID86266511
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)/C=C/c2cccs2)c2c1CCC2
InChIInChI=1S/C20H21N3O2S/c1-22-19-8-2-7-17(19)18(21-22)14-23(13-15-5-3-11-25-15)20(24)10-9-16-6-4-12-26-16/h3-6,9-12H,2,7-8,13-14H2,1H3/b10-9+
InChIKeyPKTAZPPERWSEQR-MDZDMXLPSA-N
XLogP3.81
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxoimidazolidine-1-carboxamide
CID 86266549
(E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 30713222
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 4869481
(E)-N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 16617006
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 8850492
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 51074060
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 30708695
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643

Frequently Asked Questions

What is the IUPAC name of (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 86266511) is (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide is Cn1nc(CN(Cc2ccco2)C(=O)/C=C/c2cccs2)c2c1CCC2.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PKTAZPPERWSEQR-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-22-19-8-2-7-17(19)18(21-22)14-23(13-15-5-3-11-25-15)20(24)10-9-16-6-4-12-26-16/h3-6,9-12H,2,7-8,13-14H2,1H3/b10-9+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 367.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 86266511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).