5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C12H9Br2N3O3S2 — CID 55821937

IUPAC5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9Br2N3O3S2/c13-8-3-1-6(21-8)11(19)15-5-10(18)16-17-12(20)7-2-4-9(14)22-7/h1-4H,5H2,(H,15,19)(H,16,18)(H,17,20)
InChIKeyGUJBXQQWHORXCQ-UHFFFAOYSA-N
MW467.16 g/mol
LogP2.53
Rot. Bonds4

About 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55821937) has the molecular formula C12H9Br2N3O3S2 and a molecular weight of 467.16 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55821937
Molecular FormulaC12H9Br2N3O3S2
Molecular Weight467.16 g/mol
Exact Mass464.85
IUPAC Name5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9Br2N3O3S2/c13-8-3-1-6(21-8)11(19)15-5-10(18)16-17-12(20)7-2-4-9(14)22-7/h1-4H,5H2,(H,15,19)(H,16,18)(H,17,20)
InChIKeyGUJBXQQWHORXCQ-UHFFFAOYSA-N
XLogP2.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.16
LogP ≤ 52.53
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-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
5-bromo-N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55835199
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709
5-bromo-N-[2-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821565
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
5-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47051859
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799
5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 52670386
ethyl 3-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 49493293
5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55825095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 55821937) is 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(Br)s1)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GUJBXQQWHORXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O3S2/c13-8-3-1-6(21-8)11(19)15-5-10(18)16-17-12(20)7-2-4-9(14)22-7/h1-4H,5H2,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 467.16 g/mol, XLogP of 2.53, 4 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-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55821937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).