N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C17H13F2NO2S — CID 7944836

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccccc12
InChIInChI=1S/C17H13F2NO2S/c1-10-13-4-2-3-5-14(13)22-15(10)16(21)20-11-6-8-12(9-7-11)23-17(18)19/h2-9,17H,1H3,(H,20,21)
InChIKeyLCMMYKLIICGXEW-UHFFFAOYSA-N
MW333.36 g/mol
LogP5.31
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7944836) has the molecular formula C17H13F2NO2S and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7944836
Molecular FormulaC17H13F2NO2S
Molecular Weight333.36 g/mol
Exact Mass333.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccccc12
InChIInChI=1S/C17H13F2NO2S/c1-10-13-4-2-3-5-14(13)22-15(10)16(21)20-11-6-8-12(9-7-11)23-17(18)19/h2-9,17H,1H3,(H,20,21)
InChIKeyLCMMYKLIICGXEW-UHFFFAOYSA-N
XLogP5.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7578111
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 108793551
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 166155571
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886
3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 108805438
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 108811485
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 7944836) is N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccccc12.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LCMMYKLIICGXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S/c1-10-13-4-2-3-5-14(13)22-15(10)16(21)20-11-6-8-12(9-7-11)23-17(18)19/h2-9,17H,1H3,(H,20,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7944836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).