N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide

C15H12Br2N2O3S — CID 3315853

IUPACN'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESCOc1c(Br)cc(Br)cc1C=CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H12Br2N2O3S/c1-22-14-9(7-10(16)8-11(14)17)4-5-13(20)18-19-15(21)12-3-2-6-23-12/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyIKPDRIWNIAZVDT-UHFFFAOYSA-N
MW460.15 g/mol
LogP3.76
Rot. Bonds4

About N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide

N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 3315853) has the molecular formula C15H12Br2N2O3S and a molecular weight of 460.15 g/mol. Its IUPAC name is N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID3315853
Molecular FormulaC15H12Br2N2O3S
Molecular Weight460.15 g/mol
Exact Mass457.89
IUPAC NameN'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESCOc1c(Br)cc(Br)cc1C=CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H12Br2N2O3S/c1-22-14-9(7-10(16)8-11(14)17)4-5-13(20)18-19-15(21)12-3-2-6-23-12/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyIKPDRIWNIAZVDT-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.15
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 17111204
3-(3,5-dibromo-2-methoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 3632824
N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17361653
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 5090207
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17117563
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(2-methylquinolin-5-yl)prop-2-enamide
CID 17336281
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
CID 1416483
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 1116383
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
CID 9479373

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide (CID 3315853) is N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide is COc1c(Br)cc(Br)cc1C=CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is IKPDRIWNIAZVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O3S/c1-22-14-9(7-10(16)8-11(14)17)4-5-13(20)18-19-15(21)12-3-2-6-23-12/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 460.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 3315853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).