N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide

C19H23NO2S — CID 3515829

IUPACN-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(SC)cc2OC)cc1
InChIInChI=1S/C19H23NO2S/c1-4-5-6-14-7-9-15(10-8-14)20-19(21)17-12-11-16(23-3)13-18(17)22-2/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyFCANPBJWTQHYBH-UHFFFAOYSA-N
MW329.47 g/mol
LogP5.01
Rot. Bonds7

About N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide

N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 3515829) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID3515829
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(SC)cc2OC)cc1
InChIInChI=1S/C19H23NO2S/c1-4-5-6-14-7-9-15(10-8-14)20-19(21)17-12-11-16(23-3)13-18(17)22-2/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyFCANPBJWTQHYBH-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 670804
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2922181
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
(2S)-N-(4-butylphenyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94027359

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide (CID 3515829) is N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide is CCCCc1ccc(NC(=O)c2ccc(SC)cc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is FCANPBJWTQHYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-4-5-6-14-7-9-15(10-8-14)20-19(21)17-12-11-16(23-3)13-18(17)22-2/h7-13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 329.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 3515829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).