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

C19H15N3O2S — CID 32754732

IUPACN'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C19H15N3O2S/c23-18(10-13-11-20-15-7-3-2-6-14(13)15)21-22-19(24)17-9-12-5-1-4-8-16(12)25-17/h1-9,11,20H,10H2,(H,21,23)(H,22,24)
InChIKeyKZLXEADQSKACBU-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.39
Rot. Bonds3

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

N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide (PubChem CID 32754732) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide
PubChem CID32754732
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C19H15N3O2S/c23-18(10-13-11-20-15-7-3-2-6-14(13)15)21-22-19(24)17-9-12-5-1-4-8-16(12)25-17/h1-9,11,20H,10H2,(H,21,23)(H,22,24)
InChIKeyKZLXEADQSKACBU-UHFFFAOYSA-N
XLogP3.39
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.39
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

N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide
CID 31800795
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
6-chloro-N'-[2-(1H-indol-3-yl)acetyl]quinoline-8-carbohydrazide
CID 55881068
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
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide (CID 32754732) is N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide?
The InChIKey is KZLXEADQSKACBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18(10-13-11-20-15-7-3-2-6-14(13)15)21-22-19(24)17-9-12-5-1-4-8-16(12)25-17/h1-9,11,20H,10H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide has a molecular weight of 349.42 g/mol, XLogP of 3.39, 3 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]-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 32754732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).