4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide

C19H23NO3S — CID 60605651

IUPAC4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO3S/c1-20(12-15-7-10-18(24-4)17(11-15)23-3)19(21)16-8-5-14(6-9-16)13-22-2/h5-11H,12-13H2,1-4H3
InChIKeyVNXIJIOLRXQOKU-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.84
Rot. Bonds7

About 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide

4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide (PubChem CID 60605651) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide
PubChem CID60605651
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO3S/c1-20(12-15-7-10-18(24-4)17(11-15)23-3)19(21)16-8-5-14(6-9-16)13-22-2/h5-11H,12-13H2,1-4H3
InChIKeyVNXIJIOLRXQOKU-UHFFFAOYSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119309860
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
3-[[(3-methoxy-4-methylsulfanylphenyl)methyl-methylamino]methyl]benzoic acid
CID 122028876
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668040
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
2-(cyclopropylmethylamino)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119759990
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide (CID 60605651) is 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide is COCc1ccc(C(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide?
The InChIKey is VNXIJIOLRXQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-20(12-15-7-10-18(24-4)17(11-15)23-3)19(21)16-8-5-14(6-9-16)13-22-2/h5-11H,12-13H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide?
4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60605651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).