N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C18H20F2N2O2S — CID 8594676

IUPACN-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-22(11-13-7-9-14(25-2)10-8-13)12-17(23)21-15-5-3-4-6-16(15)24-18(19)20/h3-10,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyDAGHKNXWKJNDAL-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.08
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 8594676) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID8594676
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-22(11-13-7-9-14(25-2)10-8-13)12-17(23)21-15-5-3-4-6-16(15)24-18(19)20/h3-10,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyDAGHKNXWKJNDAL-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 34115631
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8912661
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35885885
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
2-[benzyl(ethyl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29231169
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 2490916

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 8594676) is N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is DAGHKNXWKJNDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-22(11-13-7-9-14(25-2)10-8-13)12-17(23)21-15-5-3-4-6-16(15)24-18(19)20/h3-10,18H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 366.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8594676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).