N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide

C20H24N2O2S — CID 9059598

IUPACN'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
SMILESCc1cc(C)c(C)c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)c1C
InChIInChI=1S/C20H24N2O2S/c1-12-11-13(2)15(4)18(14(12)3)25-16(5)19(23)21-22-20(24)17-9-7-6-8-10-17/h6-11,16H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyDYFFTZBCMTUOKJ-INIZCTEOSA-N
MW356.49 g/mol
LogP3.86
Rot. Bonds4

About N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide

N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 9059598) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID9059598
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
SMILESCc1cc(C)c(C)c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)c1C
InChIInChI=1S/C20H24N2O2S/c1-12-11-13(2)15(4)18(14(12)3)25-16(5)19(23)21-22-20(24)17-9-7-6-8-10-17/h6-11,16H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyDYFFTZBCMTUOKJ-INIZCTEOSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8957069
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
N'-[(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]benzohydrazide
CID 8731420
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
N'-[(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoyl]benzohydrazide
CID 8944380
N'-[(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 9066432
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 41141971
(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7468566
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9496112
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide (CID 9059598) is N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide is Cc1cc(C)c(C)c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)c1C.
What is the InChIKey of N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is DYFFTZBCMTUOKJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-12-11-13(2)15(4)18(14(12)3)25-16(5)19(23)21-22-20(24)17-9-7-6-8-10-17/h6-11,16H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide?
N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 356.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 9059598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).