N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide

C14H17N3O2S — CID 18164303

IUPACN'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
SMILESCSCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2S/c1-20-7-6-13(18)16-17-14(19)8-10-9-15-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyRVQHFKVLUYHLSF-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.61
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide

N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide (PubChem CID 18164303) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
PubChem CID18164303
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
SMILESCSCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2S/c1-20-7-6-13(18)16-17-14(19)8-10-9-15-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyRVQHFKVLUYHLSF-UHFFFAOYSA-N
XLogP1.61
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 17485569
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 55616581
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
CID 39430911
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide (CID 18164303) is N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide is CSCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide?
The InChIKey is RVQHFKVLUYHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20-7-6-13(18)16-17-14(19)8-10-9-15-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide has a molecular weight of 291.38 g/mol, XLogP of 1.61, 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]-3-methylsulfanylpropanehydrazide is sourced from PubChem (CID 18164303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).