5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide

C12H16BrNOS2 — CID 107299384

IUPAC5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
SMILESCSC1(CNC(=O)c2cc(C)c(Br)s2)CCC1
InChIInChI=1S/C12H16BrNOS2/c1-8-6-9(17-10(8)13)11(15)14-7-12(16-2)4-3-5-12/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyQWEWFBOXIVOSIV-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide (PubChem CID 107299384) has the molecular formula C12H16BrNOS2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
PubChem CID107299384
Molecular FormulaC12H16BrNOS2
Molecular Weight334.30 g/mol
Exact Mass332.99
IUPAC Name5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
SMILESCSC1(CNC(=O)c2cc(C)c(Br)s2)CCC1
InChIInChI=1S/C12H16BrNOS2/c1-8-6-9(17-10(8)13)11(15)14-7-12(16-2)4-3-5-12/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyQWEWFBOXIVOSIV-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide (CID 107299384) is 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide is CSC1(CNC(=O)c2cc(C)c(Br)s2)CCC1.
What is the InChIKey of 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
The InChIKey is QWEWFBOXIVOSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS2/c1-8-6-9(17-10(8)13)11(15)14-7-12(16-2)4-3-5-12/h6H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 107299384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).