N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide

C17H19NO2S — CID 842703

IUPACN-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H19NO2S/c1-11-5-6-13(9-12(11)2)18-17(19)15-8-7-14(21-4)10-16(15)20-3/h5-10H,1-4H3,(H,18,19)
InChIKeyIZSJAKRIXXNHCX-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.29
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide

N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 842703) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID842703
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H19NO2S/c1-11-5-6-13(9-12(11)2)18-17(19)15-8-7-14(21-4)10-16(15)20-3/h5-10H,1-4H3,(H,18,19)
InChIKeyIZSJAKRIXXNHCX-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 670804
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2922181
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
4-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
CID 107699351
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide (CID 842703) is N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is IZSJAKRIXXNHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-5-6-13(9-12(11)2)18-17(19)15-8-7-14(21-4)10-16(15)20-3/h5-10H,1-4H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 842703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).