N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide

C17H16N6O3S — CID 8953217

IUPACN'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
SMILESC[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N6O3S/c1-11(15(25)18-19-16(26)12-5-3-2-4-6-12)27-17-20-21-22-23(17)13-7-9-14(24)10-8-13/h2-11,24H,1H3,(H,18,25)(H,19,26)/t11-/m0/s1
InChIKeyCXGXQGJHSBOXSF-NSHDSACASA-N
MW384.42 g/mol
LogP1.31
Rot. Bonds5

About N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide

N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide (PubChem CID 8953217) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
PubChem CID8953217
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
SMILESC[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N6O3S/c1-11(15(25)18-19-16(26)12-5-3-2-4-6-12)27-17-20-21-22-23(17)13-7-9-14(24)10-8-13/h2-11,24H,1H3,(H,18,25)(H,19,26)/t11-/m0/s1
InChIKeyCXGXQGJHSBOXSF-NSHDSACASA-N
XLogP1.31
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 9066432
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072
(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one
CID 154838077
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
N-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18193854

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide (CID 8953217) is N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide is C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide?
The InChIKey is CXGXQGJHSBOXSF-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-11(15(25)18-19-16(26)12-5-3-2-4-6-12)27-17-20-21-22-23(17)13-7-9-14(24)10-8-13/h2-11,24H,1H3,(H,18,25)(H,19,26)/t11-/m0/s1.
What are the key properties of N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide?
N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide has a molecular weight of 384.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 8953217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).