N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide

C16H13BrN2O4S — CID 9090843

IUPACN'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)c3ccc(Br)s3)c(C)c2c1
InChIInChI=1S/C16H13BrN2O4S/c1-8-10-7-9(22-2)3-4-11(10)23-14(8)16(21)19-18-15(20)12-5-6-13(17)24-12/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKeyZXJGXLXWOQJGHZ-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.65
Rot. Bonds3

About N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9090843) has the molecular formula C16H13BrN2O4S and a molecular weight of 409.26 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9090843
Molecular FormulaC16H13BrN2O4S
Molecular Weight409.26 g/mol
Exact Mass407.98
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)c3ccc(Br)s3)c(C)c2c1
InChIInChI=1S/C16H13BrN2O4S/c1-8-10-7-9(22-2)3-4-11(10)23-14(8)16(21)19-18-15(20)12-5-6-13(17)24-12/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKeyZXJGXLXWOQJGHZ-UHFFFAOYSA-N
XLogP3.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 107355101
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
1-[(5-bromothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 25226709

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (CID 9090843) is N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is COc1ccc2oc(C(=O)NNC(=O)c3ccc(Br)s3)c(C)c2c1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is ZXJGXLXWOQJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4S/c1-8-10-7-9(22-2)3-4-11(10)23-14(8)16(21)19-18-15(20)12-5-6-13(17)24-12/h3-7H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 409.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9090843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).