N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide

C16H18N2OS — CID 60961432

IUPACN-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2cccc(SC)c2)cc1
InChIInChI=1S/C16H18N2OS/c1-17-16(19)13-8-6-12(7-9-13)11-18-14-4-3-5-15(10-14)20-2/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyCEXWRMRJSDDHRH-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.38
Rot. Bonds5

About N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide

N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide (PubChem CID 60961432) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
PubChem CID60961432
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2cccc(SC)c2)cc1
InChIInChI=1S/C16H18N2OS/c1-17-16(19)13-8-6-12(7-9-13)11-18-14-4-3-5-15(10-14)20-2/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyCEXWRMRJSDDHRH-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
N-methyl-2-(3-methylsulfanylanilino)acetamide
CID 28568297
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
tert-butyl N-[[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9072686
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-[(3,4-dimethylphenyl)methyl]-3-methylsulfanylaniline
CID 43757314
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 828986
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
N-methyl-3-(3-methylsulfanylanilino)propanamide
CID 62324761
2,6-difluoro-4-[(3-methylsulfanylanilino)methyl]phenol
CID 79831774

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide (CID 60961432) is N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide is CNC(=O)c1ccc(CNc2cccc(SC)c2)cc1.
What is the InChIKey of N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide?
The InChIKey is CEXWRMRJSDDHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-17-16(19)13-8-6-12(7-9-13)11-18-14-4-3-5-15(10-14)20-2/h3-10,18H,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide?
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide has a molecular weight of 286.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide is sourced from PubChem (CID 60961432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).