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

C19H23NO2S — CID 20712298

IUPACN-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CSc2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)18(21)20-15-7-11-17(12-8-15)23-13-14-5-9-16(22-4)10-6-14/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyGYTBNLMHUNSSAU-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.97
Rot. Bonds5

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

N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 20712298) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
PubChem CID20712298
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CSc2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)18(21)20-15-7-11-17(12-8-15)23-13-14-5-9-16(22-4)10-6-14/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyGYTBNLMHUNSSAU-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 18333612
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
1-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-methylpropan-1-one
CID 82164974
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-[2-amino-5-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-cyano-2-methylpropanamide
CID 143602922
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
CID 91412865
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100591769
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide (CID 20712298) is N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide is COc1ccc(CSc2ccc(NC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GYTBNLMHUNSSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-19(2,3)18(21)20-15-7-11-17(12-8-15)23-13-14-5-9-16(22-4)10-6-14/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 20712298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).