5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide

C15H15BrN2O2S — CID 31950441

IUPAC5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-2-4-11(5-3-10)6-9-14(19)17-18-15(20)12-7-8-13(16)21-12/h2-5,7-8H,6,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXPCTUTAEBSTRRT-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.21
Rot. Bonds4

About 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide

5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide (PubChem CID 31950441) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
PubChem CID31950441
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-2-4-11(5-3-10)6-9-14(19)17-18-15(20)12-7-8-13(16)21-12/h2-5,7-8H,6,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXPCTUTAEBSTRRT-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.21
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-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide
CID 55857705
5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 55512069
N-[3-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 134049284
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 31729161
N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78829860
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
5-bromo-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]thiophene-2-carbohydrazide
CID 4789829
5-bromo-N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
CID 4847342
benzyl N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 55823437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide (CID 31950441) is 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide is Cc1ccc(CCC(=O)NNC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is XPCTUTAEBSTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-2-4-11(5-3-10)6-9-14(19)17-18-15(20)12-7-8-13(16)21-12/h2-5,7-8H,6,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide?
5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 367.27 g/mol, XLogP of 3.21, 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-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 31950441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).