2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C15H15BrF2N2OS2 — CID 55739401

IUPAC2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)Cc1cc(Br)cs1
InChIInChI=1S/C15H15BrF2N2OS2/c1-20(7-11-6-10(16)9-22-11)8-14(21)19-12-4-2-3-5-13(12)23-15(17)18/h2-6,9,15H,7-8H2,1H3,(H,19,21)
InChIKeyWOPZRNBHQIYMMX-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.90
Rot. Bonds7

About 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 55739401) has the molecular formula C15H15BrF2N2OS2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID55739401
Molecular FormulaC15H15BrF2N2OS2
Molecular Weight421.33 g/mol
Exact Mass419.98
IUPAC Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)Cc1cc(Br)cs1
InChIInChI=1S/C15H15BrF2N2OS2/c1-20(7-11-6-10(16)9-22-11)8-14(21)19-12-4-2-3-5-13(12)23-15(17)18/h2-6,9,15H,7-8H2,1H3,(H,19,21)
InChIKeyWOPZRNBHQIYMMX-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18196296
5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55875489
N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55606291
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
4-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55843241
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
1-[(4-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 47278857
N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 39965014
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
CID 17393458
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 55739401) is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1SC(F)F)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is WOPZRNBHQIYMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2OS2/c1-20(7-11-6-10(16)9-22-11)8-14(21)19-12-4-2-3-5-13(12)23-15(17)18/h2-6,9,15H,7-8H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 421.33 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 55739401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).