3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

C17H20N2O3S2 — CID 24673390

IUPAC3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-19(12-13-7-9-16(23-2)10-8-13)17(20)14-5-4-6-15(11-14)18-24(3,21)22/h4-11,18H,12H2,1-3H3
InChIKeyDVAOPQGVUDISBT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.05
Rot. Bonds6

About 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 24673390) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID24673390
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-19(12-13-7-9-16(23-2)10-8-13)17(20)14-5-4-6-15(11-14)18-24(3,21)22/h4-11,18H,12H2,1-3H3
InChIKeyDVAOPQGVUDISBT-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36784446
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26619244
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 36715347
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24545003
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 26619242
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 35689866
5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75429210

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 24673390) is 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is DVAOPQGVUDISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-19(12-13-7-9-16(23-2)10-8-13)17(20)14-5-4-6-15(11-14)18-24(3,21)22/h4-11,18H,12H2,1-3H3.
What are the key properties of 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 24673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).