N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide

C19H20N6O5S — CID 3189452

IUPACN'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H20N6O5S/c1-28-14-6-4-12(5-7-14)18(27)21-20-17(26)11-31-19-22-23-24-25(19)13-8-15(29-2)10-16(9-13)30-3/h4-10H,11H2,1-3H3,(H,20,26)(H,21,27)
InChIKeyAITWDRFVZDFLPA-UHFFFAOYSA-N
MW444.47 g/mol
LogP1.24
Rot. Bonds8

About N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide

N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide (PubChem CID 3189452) has the molecular formula C19H20N6O5S and a molecular weight of 444.47 g/mol. Its IUPAC name is N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide
PubChem CID3189452
Molecular FormulaC19H20N6O5S
Molecular Weight444.47 g/mol
Exact Mass444.12
IUPAC NameN'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H20N6O5S/c1-28-14-6-4-12(5-7-14)18(27)21-20-17(26)11-31-19-22-23-24-25(19)13-8-15(29-2)10-16(9-13)30-3/h4-10H,11H2,1-3H3,(H,20,26)(H,21,27)
InChIKeyAITWDRFVZDFLPA-UHFFFAOYSA-N
XLogP1.24
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 1175547
N-(4-Acetyl-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075016
2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 3115405
N-(4-{2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-phenyl)-acetamide
CID 651370
Cambridge id 6996110
CID 2296263
4-methoxy-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzamide
CID 4752850
4-(difluoromethoxy)-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
CID 2618661
4-(difluoromethoxy)-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzamide
CID 2621231
2-fluoro-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 7863752
2-fluoro-N'-[2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 9329271
4-fluoro-N'-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 24370146
N-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzamide
CID 28228631

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide (CID 3189452) is N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide?
The InChIKey is AITWDRFVZDFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5S/c1-28-14-6-4-12(5-7-14)18(27)21-20-17(26)11-31-19-22-23-24-25(19)13-8-15(29-2)10-16(9-13)30-3/h4-10H,11H2,1-3H3,(H,20,26)(H,21,27).
What are the key properties of N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide?
N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide has a molecular weight of 444.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 3189452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).