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

C18H19F2NO3S — CID 9261943

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(CSC)c2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO3S/c1-23-16-9-12(6-7-15(16)24-18(19)20)10-21-17(22)14-5-3-4-13(8-14)11-25-2/h3-9,18H,10-11H2,1-2H3,(H,21,22)
InChIKeyDTAPFDFMSYBSNL-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.09
Rot. Bonds8

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

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 9261943) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
PubChem CID9261943
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(CSC)c2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO3S/c1-23-16-9-12(6-7-15(16)24-18(19)20)10-21-17(22)14-5-3-4-13(8-14)11-25-2/h3-9,18H,10-11H2,1-2H3,(H,21,22)
InChIKeyDTAPFDFMSYBSNL-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
CID 42119354
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
CID 55777909
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide (CID 9261943) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide is COc1cc(CNC(=O)c2cccc(CSC)c2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is DTAPFDFMSYBSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-23-16-9-12(6-7-15(16)24-18(19)20)10-21-17(22)14-5-3-4-13(8-14)11-25-2/h3-9,18H,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 367.42 g/mol, XLogP of 4.09, 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]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9261943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).