N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide

C16H17BrN2O4S — CID 9479373

IUPACN'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
SMILESCCCOc1c(Br)cc(C(=O)NNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H17BrN2O4S/c1-3-6-23-14-11(17)8-10(9-12(14)22-2)15(20)18-19-16(21)13-5-4-7-24-13/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQWVQHKKZKWUFTL-UHFFFAOYSA-N
MW413.29 g/mol
LogP3.38
Rot. Bonds6

About N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide

N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide (PubChem CID 9479373) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
PubChem CID9479373
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC NameN'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
SMILESCCCOc1c(Br)cc(C(=O)NNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H17BrN2O4S/c1-3-6-23-14-11(17)8-10(9-12(14)22-2)15(20)18-19-16(21)13-5-4-7-24-13/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQWVQHKKZKWUFTL-UHFFFAOYSA-N
XLogP3.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 29266283
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35794749
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 29183723
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
CID 55717157
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide (CID 9479373) is N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide is CCCOc1c(Br)cc(C(=O)NNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide?
The InChIKey is QWVQHKKZKWUFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-3-6-23-14-11(17)8-10(9-12(14)22-2)15(20)18-19-16(21)13-5-4-7-24-13/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide?
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide has a molecular weight of 413.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9479373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).