3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide

C19H18FN3O2S — CID 17485569

IUPAC3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18FN3O2S/c20-14-5-7-15(8-6-14)26-10-9-18(24)22-23-19(25)11-13-12-21-17-4-2-1-3-16(13)17/h1-8,12,21H,9-11H2,(H,22,24)(H,23,25)
InChIKeyLXBIXCNDZJRYIW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.18
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide

3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide (PubChem CID 17485569) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
PubChem CID17485569
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18FN3O2S/c20-14-5-7-15(8-6-14)26-10-9-18(24)22-23-19(25)11-13-12-21-17-4-2-1-3-16(13)17/h1-8,12,21H,9-11H2,(H,22,24)(H,23,25)
InChIKeyLXBIXCNDZJRYIW-UHFFFAOYSA-N
XLogP3.18
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.18
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

3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119824
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 55616581
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428
2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 55822838
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide (CID 17485569) is 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide is O=C(CCSc1ccc(F)cc1)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
The InChIKey is LXBIXCNDZJRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-14-5-7-15(8-6-14)26-10-9-18(24)22-23-19(25)11-13-12-21-17-4-2-1-3-16(13)17/h1-8,12,21H,9-11H2,(H,22,24)(H,23,25).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide has a molecular weight of 371.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide is sourced from PubChem (CID 17485569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).