N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide

C17H15F4NO3S — CID 42119354

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(SC(F)F)cc2)ccc1OC(F)F
InChIInChI=1S/C17H15F4NO3S/c1-24-14-8-10(2-7-13(14)25-16(18)19)9-22-15(23)11-3-5-12(6-4-11)26-17(20)21/h2-8,16-17H,9H2,1H3,(H,22,23)
InChIKeyUGHVLXIAYVIUKR-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.54
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide (PubChem CID 42119354) has the molecular formula C17H15F4NO3S and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
PubChem CID42119354
Molecular FormulaC17H15F4NO3S
Molecular Weight389.37 g/mol
Exact Mass389.07
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(SC(F)F)cc2)ccc1OC(F)F
InChIInChI=1S/C17H15F4NO3S/c1-24-14-8-10(2-7-13(14)25-16(18)19)9-22-15(23)11-3-5-12(6-4-11)26-17(20)21/h2-8,16-17H,9H2,1H3,(H,22,23)
InChIKeyUGHVLXIAYVIUKR-UHFFFAOYSA-N
XLogP4.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide (CID 42119354) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide is COc1cc(CNC(=O)c2ccc(SC(F)F)cc2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is UGHVLXIAYVIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3S/c1-24-14-8-10(2-7-13(14)25-16(18)19)9-22-15(23)11-3-5-12(6-4-11)26-17(20)21/h2-8,16-17H,9H2,1H3,(H,22,23).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 389.37 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 42119354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).