2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide

C19H21N3O2S — CID 10522189

IUPAC2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(SC)n2Cc1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-24-14-8-9-17-15(10-14)16(11-18(23)21-20)19(25-2)22(17)12-13-6-4-3-5-7-13/h3-10H,11-12,20H2,1-2H3,(H,21,23)
InChIKeyPJKBTOULLDNRAI-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.95
Rot. Bonds6

About 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide

2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide (PubChem CID 10522189) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide
PubChem CID10522189
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(SC)n2Cc1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-24-14-8-9-17-15(10-14)16(11-18(23)21-20)19(25-2)22(17)12-13-6-4-3-5-7-13/h3-10H,11-12,20H2,1-2H3,(H,21,23)
InChIKeyPJKBTOULLDNRAI-UHFFFAOYSA-N
XLogP2.95
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382957
(+-)-11-(2-Fluoroethyl)-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a] fluorene-6-carboxylic acid diethyl amide
CID 58382965
N,N-diethyl-11-(2-fluoroethyl)-2-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579503
N,N-diethyl-11-(2-fluoroethyl)-4-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579505
N,N-diethyl-11-(2-fluoroethyl)-8-(trifluoromethoxy)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71580972
2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1040844
(1-Benzyl-2-bromo-5-methoxy-1H-indol-3-yl)-acetic acid hydrazide
CID 10068833
(1-Benzyl-2-chloro-5-methoxy-1H-indol-3-yl)-acetic acid hydrazide
CID 10315432
[1-(2,6-Dichloro-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid hydrazide
CID 10548513
2-ethyl-5-methoxy-1-(phenylmethyl)-1H-indole-3-acetic acid hydrazide
CID 10568956

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide?
The IUPAC name of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide (CID 10522189) is 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide?
The canonical SMILES for 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide is COc1ccc2c(c1)c(CC(=O)NN)c(SC)n2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide?
The InChIKey is PJKBTOULLDNRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-14-8-9-17-15(10-14)16(11-18(23)21-20)19(25-2)22(17)12-13-6-4-3-5-7-13/h3-10H,11-12,20H2,1-2H3,(H,21,23).
What are the key properties of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide?
2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide has a molecular weight of 355.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetohydrazide is sourced from PubChem (CID 10522189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).