5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H13BrF2N2O2S2 — CID 55875489

IUPAC5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H13BrF2N2O2S2/c1-20(14(22)11-6-7-12(16)23-11)8-13(21)19-9-4-2-3-5-10(9)24-15(17)18/h2-7,15H,8H2,1H3,(H,19,21)
InChIKeyIGGBNHQRVWSIQN-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.54
Rot. Bonds6

About 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 55875489) has the molecular formula C15H13BrF2N2O2S2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID55875489
Molecular FormulaC15H13BrF2N2O2S2
Molecular Weight435.32 g/mol
Exact Mass433.96
IUPAC Name5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H13BrF2N2O2S2/c1-20(14(22)11-6-7-12(16)23-11)8-13(21)19-9-4-2-3-5-10(9)24-15(17)18/h2-7,15H,8H2,1H3,(H,19,21)
InChIKeyIGGBNHQRVWSIQN-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55606291
5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 38488991
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 55739401
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
5-bromo-N-[2-(5-bromo-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55905137
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47276155
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626
5-bromo-N-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 119501024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 55875489) is 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1ccccc1SC(F)F)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IGGBNHQRVWSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O2S2/c1-20(14(22)11-6-7-12(16)23-11)8-13(21)19-9-4-2-3-5-10(9)24-15(17)18/h2-7,15H,8H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 435.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55875489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).