5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide

C8H10BrNO2S2 — CID 130892686

IUPAC5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide
SMILESCCS(C)(=O)=NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S2/c1-3-14(2,12)10-8(11)6-4-7(9)13-5-6/h4-5H,3H2,1-2H3
InChIKeyKXBNSFNGNLXDFE-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide

5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide (PubChem CID 130892686) has the molecular formula C8H10BrNO2S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide
PubChem CID130892686
Molecular FormulaC8H10BrNO2S2
Molecular Weight296.21 g/mol
Exact Mass294.93
IUPAC Name5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide
SMILESCCS(C)(=O)=NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S2/c1-3-14(2,12)10-8(11)6-4-7(9)13-5-6/h4-5H,3H2,1-2H3
InChIKeyKXBNSFNGNLXDFE-UHFFFAOYSA-N
XLogP2.77
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-2-ethylbutan-1-one
CID 105117350
5-bromothiophene-3-carbonyl isocyanate
CID 103513067
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CID 65111095
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
1-(5-bromothiophen-3-yl)hexan-1-one
CID 105087588
1-(5-bromothiophen-3-yl)heptan-1-one
CID 105086762
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
1-(5-bromothiophen-3-yl)-2-methoxyethanone
CID 105114983
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
CID 63958500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide (CID 130892686) is 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide is CCS(C)(=O)=NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide?
The InChIKey is KXBNSFNGNLXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S2/c1-3-14(2,12)10-8(11)6-4-7(9)13-5-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide?
5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(ethyl-methyl-oxo-λ6-sulfanylidene)thiophene-3-carboxamide is sourced from PubChem (CID 130892686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).