N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide

C24H25N3O2S2 — CID 59926878

IUPACN'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide
SMILESCSCC[C@H](C=O)NNC(=O)c1ccc(SCc2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C24H25N3O2S2/c1-30-13-11-20(16-28)26-27-24(29)22-10-9-21(31-17-18-6-5-12-25-15-18)14-23(22)19-7-3-2-4-8-19/h2-10,12,14-16,20,26H,11,13,17H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyJSVHFIDIOQOXBV-HXUWFJFHSA-N
MW451.62 g/mol
LogP4.60
Rot. Bonds11

About N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide

N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide (PubChem CID 59926878) has the molecular formula C24H25N3O2S2 and a molecular weight of 451.62 g/mol. Its IUPAC name is N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide
PubChem CID59926878
Molecular FormulaC24H25N3O2S2
Molecular Weight451.62 g/mol
Exact Mass451.14
IUPAC NameN'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide
SMILESCSCC[C@H](C=O)NNC(=O)c1ccc(SCc2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C24H25N3O2S2/c1-30-13-11-20(16-28)26-27-24(29)22-10-9-21(31-17-18-6-5-12-25-15-18)14-23(22)19-7-3-2-4-8-19/h2-10,12,14-16,20,26H,11,13,17H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyJSVHFIDIOQOXBV-HXUWFJFHSA-N
XLogP4.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide with MolForge

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Launch Full Analysis

Related Compounds

N'-(4-methylsulfanyl-1-oxobutan-2-yl)-2-phenyl-4-[(pyridin-2-ylamino)methyl]benzohydrazide
CID 20624305
S-[4-[[[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]amino]carbamoyl]-3-phenylphenyl] N-(thiophen-2-ylmethyl)carbamothioate
CID 59926820
methyl 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethyl)benzoyl]amino]butanoate
CID 23436154
4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoic acid
CID 20623814
3-methylbutyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylmethylamino)benzoyl]amino]butanoate
CID 23436556
methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]amino]butanoate
CID 23436089
4-methylsulfanyl-2-[[2-phenyl-4-[(pyridin-3-ylsulfanylcarbothioylamino)methyl]benzoyl]amino]butanoic acid
CID 20623821
4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfinylamino)benzoyl]amino]butanoic acid
CID 20623823
lithium;2-[[4-[benzyl(pyridin-3-yl)sulfamoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;hydride
CID 173224846
(2S)-2-[[2-(4-methoxyphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 10790381
2-amino-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylmethoxy)benzoyl]butanoic acid
CID 23436113
methyl (2S)-2-[[4-[3-(aminomethyl)-2-pyridinyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate;pyridine-3-carbaldehyde
CID 158635102

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide?
The IUPAC name of N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide (CID 59926878) is N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide.
What is the SMILES notation for N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide?
The canonical SMILES for N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide is CSCC[C@H](C=O)NNC(=O)c1ccc(SCc2cccnc2)cc1-c1ccccc1.
What is the InChIKey of N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide?
The InChIKey is JSVHFIDIOQOXBV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O2S2/c1-30-13-11-20(16-28)26-27-24(29)22-10-9-21(31-17-18-6-5-12-25-15-18)14-23(22)19-7-3-2-4-8-19/h2-10,12,14-16,20,26H,11,13,17H2,1H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide?
N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide has a molecular weight of 451.62 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylsulfanyl)benzohydrazide is sourced from PubChem (CID 59926878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).