N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide

C19H22FNO2S — CID 18333612

IUPACN-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CSc2ccc(NC(=O)C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(2,3)18(22)21-17-10-9-15(11-16(17)20)24-12-13-5-7-14(23-4)8-6-13/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyGLHCBEUIIRVPGW-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.11
Rot. Bonds5

About N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide

N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 18333612) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
PubChem CID18333612
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CSc2ccc(NC(=O)C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(2,3)18(22)21-17-10-9-15(11-16(17)20)24-12-13-5-7-14(23-4)8-6-13/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyGLHCBEUIIRVPGW-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 20712298
N-[2-amino-5-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-cyano-2-methylpropanamide
CID 143602922
2-cyano-N-[5-[(4-methoxyphenyl)methylsulfanyl]-2-(oxan-4-ylmethylamino)phenyl]-2-methylpropanamide
CID 58010458
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548137
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
N-(2,4-difluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234559
N-[2-fluoro-6-(4-methoxyphenyl)sulfanylphenyl]-2,2-dimethylpropanamide
CID 18801078
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide (CID 18333612) is N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide is COc1ccc(CSc2ccc(NC(=O)C(C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GLHCBEUIIRVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-19(2,3)18(22)21-17-10-9-15(11-16(17)20)24-12-13-5-7-14(23-4)8-6-13/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18333612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).