(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

C22H19N5O4 — CID 18227034

IUPAC(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C22H19N5O4/c1-29-18-11-16(12-19(13-18)30-2)23-22(28)20(14-17-9-6-10-31-17)27-21(24-25-26-27)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,28)/b20-14-
InChIKeyHBBNNGZRLFDJDA-ZHZULCJRSA-N
MW417.43 g/mol
LogP3.59
Rot. Bonds7

About (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide

(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (PubChem CID 18227034) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
PubChem CID18227034
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C22H19N5O4/c1-29-18-11-16(12-19(13-18)30-2)23-22(28)20(14-17-9-6-10-31-17)27-21(24-25-26-27)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,28)/b20-14-
InChIKeyHBBNNGZRLFDJDA-ZHZULCJRSA-N
XLogP3.59
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide (CID 18227034) is (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is COc1cc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc(OC)c1.
What is the InChIKey of (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
The InChIKey is HBBNNGZRLFDJDA-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-29-18-11-16(12-19(13-18)30-2)23-22(28)20(14-17-9-6-10-31-17)27-21(24-25-26-27)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,28)/b20-14-.
What are the key properties of (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide?
(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide has a molecular weight of 417.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 18227034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).