5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

C11H14BrNO3S2 — CID 79934442

IUPAC5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)sc1Br
InChIInChI=1S/C11H14BrNO3S2/c1-7-5-8(17-9(7)12)10(14)13-11(2)3-4-18(15,16)6-11/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyLUXXLCLEQNTZRX-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.13
Rot. Bonds2

About 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (PubChem CID 79934442) has the molecular formula C11H14BrNO3S2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
PubChem CID79934442
Molecular FormulaC11H14BrNO3S2
Molecular Weight352.28 g/mol
Exact Mass350.96
IUPAC Name5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)sc1Br
InChIInChI=1S/C11H14BrNO3S2/c1-7-5-8(17-9(7)12)10(14)13-11(2)3-4-18(15,16)6-11/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyLUXXLCLEQNTZRX-UHFFFAOYSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
CID 79964549
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (CID 79934442) is 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is Cc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is LUXXLCLEQNTZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S2/c1-7-5-8(17-9(7)12)10(14)13-11(2)3-4-18(15,16)6-11/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79934442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).