5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide

C9H12BrNO3S2 — CID 78924793

IUPAC5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1csc(Br)c1
InChIInChI=1S/C9H12BrNO3S2/c1-11(3-4-16(2,13)14)9(12)7-5-8(10)15-6-7/h5-6H,3-4H2,1-2H3
InChIKeySCBHZTDVNSRCKU-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.63
Rot. Bonds4

About 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide

5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide (PubChem CID 78924793) has the molecular formula C9H12BrNO3S2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
PubChem CID78924793
Molecular FormulaC9H12BrNO3S2
Molecular Weight326.24 g/mol
Exact Mass324.94
IUPAC Name5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1csc(Br)c1
InChIInChI=1S/C9H12BrNO3S2/c1-11(3-4-16(2,13)14)9(12)7-5-8(10)15-6-7/h5-6H,3-4H2,1-2H3
InChIKeySCBHZTDVNSRCKU-UHFFFAOYSA-N
XLogP1.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 86832629
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735666
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 38362636
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylthiophene-3-carboxamide
CID 60735731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide (CID 78924793) is 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide is CN(CCS(C)(=O)=O)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The InChIKey is SCBHZTDVNSRCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S2/c1-11(3-4-16(2,13)14)9(12)7-5-8(10)15-6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78924793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).