2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide

C17H18F2N2O2S — CID 47013484

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O2S/c1-23-14-4-2-3-12(9-14)10-21-16(22)11-20-13-5-7-15(8-6-13)24-17(18)19/h2-9,17,20H,10-11H2,1H3,(H,21,22)
InChIKeyNZHFKYTYCHXMMN-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.74
Rot. Bonds8

About 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 47013484) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID47013484
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O2S/c1-23-14-4-2-3-12(9-14)10-21-16(22)11-20-13-5-7-15(8-6-13)24-17(18)19/h2-9,17,20H,10-11H2,1H3,(H,21,22)
InChIKeyNZHFKYTYCHXMMN-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 47013484) is 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CNc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is NZHFKYTYCHXMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c1-23-14-4-2-3-12(9-14)10-21-16(22)11-20-13-5-7-15(8-6-13)24-17(18)19/h2-9,17,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 47013484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).