(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

C22H17N5O2S — CID 8712824

IUPAC(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N5O2S/c1-15(28)16-9-11-18(12-10-16)23-22(29)20(14-19-8-5-13-30-19)27-21(24-25-26-27)17-6-3-2-4-7-17/h2-14H,1H3,(H,23,29)/b20-14-
InChIKeyYYHHNCRBALXYGC-ZHZULCJRSA-N
MW415.48 g/mol
LogP4.24
Rot. Bonds6

About (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 8712824) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID8712824
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N5O2S/c1-15(28)16-9-11-18(12-10-16)23-22(29)20(14-19-8-5-13-30-19)27-21(24-25-26-27)17-6-3-2-4-7-17/h2-14H,1H3,(H,23,29)/b20-14-
InChIKeyYYHHNCRBALXYGC-ZHZULCJRSA-N
XLogP4.24
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 24535310
(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 7962571
phenacyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 42982299
[(2R)-1-amino-1-oxopropan-2-yl] (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810223
(3,3-dimethyl-2-oxobutyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810240
(2-oxo-2-propan-2-yloxyethyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 35446157
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 18285613
(4-octanoylphenyl) 2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 4845890
(2-fluorophenyl)methyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810228
ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2892447
(Z)-N-(4-bromo-3-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661294
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 55360248

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide (CID 8712824) is (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide is CC(=O)c1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YYHHNCRBALXYGC-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-15(28)16-9-11-18(12-10-16)23-22(29)20(14-19-8-5-13-30-19)27-21(24-25-26-27)17-6-3-2-4-7-17/h2-14H,1H3,(H,23,29)/b20-14-.
What are the key properties of (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 415.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 8712824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).