N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide

C20H21N3O2S — CID 17484675

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(SC(C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-7-9-16(10-8-13)26-14(2)20(25)23-22-19(24)11-15-12-21-18-6-4-3-5-17(15)18/h3-10,12,14,21H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNKBZFACHRCITBJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.35
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide

N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide (PubChem CID 17484675) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
PubChem CID17484675
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(SC(C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-7-9-16(10-8-13)26-14(2)20(25)23-22-19(24)11-15-12-21-18-6-4-3-5-17(15)18/h3-10,12,14,21H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNKBZFACHRCITBJ-UHFFFAOYSA-N
XLogP3.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46426953
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
(2S)-2-(4-chloro-2,6-dimethylphenoxy)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 34519138
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
CID 18274141
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 17485569
2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46799225
N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51301479
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
CID 46656981

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide (CID 17484675) is N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide is Cc1ccc(SC(C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The InChIKey is NKBZFACHRCITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-7-9-16(10-8-13)26-14(2)20(25)23-22-19(24)11-15-12-21-18-6-4-3-5-17(15)18/h3-10,12,14,21H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide has a molecular weight of 367.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 17484675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).