(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

C22H19N5O2S — CID 7962571

IUPAC(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1
InChIInChI=1S/C22H19N5O2S/c1-15-10-11-20(29-2)18(13-15)23-22(28)19(14-17-9-6-12-30-17)27-21(24-25-26-27)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,28)/b19-14-
InChIKeyPVLPTJTXUKZLAX-RGEXLXHISA-N
MW417.49 g/mol
LogP4.36
Rot. Bonds6

About (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 7962571) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID7962571
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1
InChIInChI=1S/C22H19N5O2S/c1-15-10-11-20(29-2)18(13-15)23-22(28)19(14-17-9-6-12-30-17)27-21(24-25-26-27)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,28)/b19-14-
InChIKeyPVLPTJTXUKZLAX-RGEXLXHISA-N
XLogP4.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.36
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-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 8712824
(Z)-3-(furan-2-yl)-N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661286
(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 24535310
(3,3-dimethyl-2-oxobutyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810240
phenacyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 42982299
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
(2-fluorophenyl)methyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810228
(4-octanoylphenyl) 2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 4845890
(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 716265
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
(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
2-cyano-N-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 4504662

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide (CID 7962571) is (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide is COc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PVLPTJTXUKZLAX-RGEXLXHISA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-15-10-11-20(29-2)18(13-15)23-22(28)19(14-17-9-6-12-30-17)27-21(24-25-26-27)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,28)/b19-14-.
What are the key properties of (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 417.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 7962571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).