5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C15H16BrN3O4S — CID 9418407

IUPAC5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C15H16BrN3O4S/c1-3-10-8(2)6-11(24-10)15(22)19-18-13(20)7-17-14(21)9-4-5-12(16)23-9/h4-6H,3,7H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeySRYLVEDIYYJGPR-UHFFFAOYSA-N
MW414.28 g/mol
LogP2.17
Rot. Bonds5

About 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9418407) has the molecular formula C15H16BrN3O4S and a molecular weight of 414.28 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID9418407
Molecular FormulaC15H16BrN3O4S
Molecular Weight414.28 g/mol
Exact Mass413.00
IUPAC Name5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCc1sc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C15H16BrN3O4S/c1-3-10-8(2)6-11(24-10)15(22)19-18-13(20)7-17-14(21)9-4-5-12(16)23-9/h4-6H,3,7H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeySRYLVEDIYYJGPR-UHFFFAOYSA-N
XLogP2.17
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9418410
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
5-bromo-N-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538963
N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091418
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47038570
5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 55708868
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 9418407) is 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is CCc1sc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SRYLVEDIYYJGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4S/c1-3-10-8(2)6-11(24-10)15(22)19-18-13(20)7-17-14(21)9-4-5-12(16)23-9/h4-6H,3,7H2,1-2H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 414.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9418407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).