3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide

C19H24N2OS — CID 74246309

IUPAC3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1cccc(CN(C)C(=O)c2cccc(CN(C)C)c2)c1
InChIInChI=1S/C19H24N2OS/c1-20(2)13-15-7-5-9-17(11-15)19(22)21(3)14-16-8-6-10-18(12-16)23-4/h5-12H,13-14H2,1-4H3
InChIKeyCGXTYMIAYIMMCT-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.74
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide

3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide (PubChem CID 74246309) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
PubChem CID74246309
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1cccc(CN(C)C(=O)c2cccc(CN(C)C)c2)c1
InChIInChI=1S/C19H24N2OS/c1-20(2)13-15-7-5-9-17(11-15)19(22)21(3)14-16-8-6-10-18(12-16)23-4/h5-12H,13-14H2,1-4H3
InChIKeyCGXTYMIAYIMMCT-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906
N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97188682
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
CID 56877658
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride
CID 172885498
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide (CID 74246309) is 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide is CSc1cccc(CN(C)C(=O)c2cccc(CN(C)C)c2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is CGXTYMIAYIMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-20(2)13-15-7-5-9-17(11-15)19(22)21(3)14-16-8-6-10-18(12-16)23-4/h5-12H,13-14H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide?
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 74246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).