N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide

C18H19F2NO3S — CID 8969520

IUPACN-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
SMILESCOc1cc(CSCC(=O)NCc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO3S/c1-23-16-9-14(7-8-15(16)24-18(19)20)11-25-12-17(22)21-10-13-5-3-2-4-6-13/h2-9,18H,10-12H2,1H3,(H,21,22)
InChIKeyDAXNWOAZFAXANV-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.85
Rot. Bonds9

About N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide

N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide (PubChem CID 8969520) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
PubChem CID8969520
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
SMILESCOc1cc(CSCC(=O)NCc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO3S/c1-23-16-9-14(7-8-15(16)24-18(19)20)11-25-12-17(22)21-10-13-5-3-2-4-6-13/h2-9,18H,10-12H2,1H3,(H,21,22)
InChIKeyDAXNWOAZFAXANV-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 26553804
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 24574581
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557
2-[(4-bromophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28633274
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
N-(5-chloro-2-methylphenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969593
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide (CID 8969520) is N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide is COc1cc(CSCC(=O)NCc2ccccc2)ccc1OC(F)F.
What is the InChIKey of N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
The InChIKey is DAXNWOAZFAXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-23-16-9-14(7-8-15(16)24-18(19)20)11-25-12-17(22)21-10-13-5-3-2-4-6-13/h2-9,18H,10-12H2,1H3,(H,21,22).
What are the key properties of N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide?
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide has a molecular weight of 367.42 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 8969520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).