N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide

C13H10BrF2NOS2 — CID 47250267

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C13H10BrF2NOS2/c14-9-5-11(19-7-9)6-17-12(18)8-1-3-10(4-2-8)20-13(15)16/h1-5,7,13H,6H2,(H,17,18)
InChIKeyUDIDXZNKUBJXLD-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.76
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide

N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide (PubChem CID 47250267) has the molecular formula C13H10BrF2NOS2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide
PubChem CID47250267
Molecular FormulaC13H10BrF2NOS2
Molecular Weight378.26 g/mol
Exact Mass376.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C13H10BrF2NOS2/c14-9-5-11(19-7-9)6-17-12(18)8-1-3-10(4-2-8)20-13(15)16/h1-5,7,13H,6H2,(H,17,18)
InChIKeyUDIDXZNKUBJXLD-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 43673183
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63930382
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998997
4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide (CID 47250267) is N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide is O=C(NCc1cc(Br)cs1)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is UDIDXZNKUBJXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NOS2/c14-9-5-11(19-7-9)6-17-12(18)8-1-3-10(4-2-8)20-13(15)16/h1-5,7,13H,6H2,(H,17,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide?
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 378.26 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 47250267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).