3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide

C17H18N2O3S — CID 41141971

IUPAC3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
SMILESCc1ccc(S[C@@H](C)C(=O)NNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C17H18N2O3S/c1-11-6-8-15(9-7-11)23-12(2)16(21)18-19-17(22)13-4-3-5-14(20)10-13/h3-10,12,20H,1-2H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyCFENONCTNYPGGF-LBPRGKRZSA-N
MW330.41 g/mol
LogP2.64
Rot. Bonds4

About 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide

3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 41141971) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID41141971
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
SMILESCc1ccc(S[C@@H](C)C(=O)NNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C17H18N2O3S/c1-11-6-8-15(9-7-11)23-12(2)16(21)18-19-17(22)13-4-3-5-14(20)10-13/h3-10,12,20H,1-2H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyCFENONCTNYPGGF-LBPRGKRZSA-N
XLogP2.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide
CID 40953039
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
2-bromo-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9399842
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 26110887
N-cyclopropyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzamide
CID 42894673
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9496112
N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9059598

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide (CID 41141971) is 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide is Cc1ccc(S[C@@H](C)C(=O)NNC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is CFENONCTNYPGGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-6-8-15(9-7-11)23-12(2)16(21)18-19-17(22)13-4-3-5-14(20)10-13/h3-10,12,20H,1-2H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide?
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 330.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 41141971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).