5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide

C18H15BrN2O2S — CID 55857705

IUPAC5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCc1ccc2ccccc2c1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C18H15BrN2O2S/c19-16-9-8-15(24-16)18(23)21-20-17(22)10-6-12-5-7-13-3-1-2-4-14(13)11-12/h1-5,7-9,11H,6,10H2,(H,20,22)(H,21,23)
InChIKeyHBRQWHDBGWPTDS-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide

5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 55857705) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide
PubChem CID55857705
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCc1ccc2ccccc2c1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C18H15BrN2O2S/c19-16-9-8-15(24-16)18(23)21-20-17(22)10-6-12-5-7-13-3-1-2-4-14(13)11-12/h1-5,7-9,11H,6,10H2,(H,20,22)(H,21,23)
InChIKeyHBRQWHDBGWPTDS-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
CID 31950441
5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 55512069
5-bromo-N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
CID 4847342
N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
CID 4787478
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
5-bromo-N-methyl-N-(naphthalen-2-ylmethyl)thiophene-2-carboxamide
CID 60646059
5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 171352035
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
benzyl N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 55823437
5-bromo-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]thiophene-2-carbohydrazide
CID 4789829
N-hydroxy-4-(3-naphthalen-2-ylpropanoylamino)benzamide
CID 173044291
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide (CID 55857705) is 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide is O=C(CCc1ccc2ccccc2c1)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is HBRQWHDBGWPTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-16-9-8-15(24-16)18(23)21-20-17(22)10-6-12-5-7-13-3-1-2-4-14(13)11-12/h1-5,7-9,11H,6,10H2,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide?
5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 403.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 55857705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).