N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide

C18H21NO3S2 — CID 26619242

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO3S2/c1-19(12-14-6-10-17(23-2)11-7-14)18(20)16-8-4-15(5-9-16)13-24(3,21)22/h4-11H,12-13H2,1-3H3
InChIKeyIOCNNCBUXDUMMH-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.23
Rot. Bonds6

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 26619242) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID26619242
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO3S2/c1-19(12-14-6-10-17(23-2)11-7-14)18(20)16-8-4-15(5-9-16)13-24(3,21)22/h4-11H,12-13H2,1-3H3
InChIKeyIOCNNCBUXDUMMH-UHFFFAOYSA-N
XLogP3.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36725167
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylbutanamide
CID 60937787
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78771299
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26619396
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide (CID 26619242) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide is CSc1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is IOCNNCBUXDUMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-19(12-14-6-10-17(23-2)11-7-14)18(20)16-8-4-15(5-9-16)13-24(3,21)22/h4-11H,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 363.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26619242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).