2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

C22H22N2O3S2 — CID 2981252

IUPAC2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C22H22N2O3S2/c1-16-14-17(15-28-18-8-4-3-5-9-18)12-13-20(16)23-22(25)19-10-6-7-11-21(19)24-29(2,26)27/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyIHILZEIYCCQOIO-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.91
Rot. Bonds7

About 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 2981252) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID2981252
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C22H22N2O3S2/c1-16-14-17(15-28-18-8-4-3-5-9-18)12-13-20(16)23-22(25)19-10-6-7-11-21(19)24-29(2,26)27/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyIHILZEIYCCQOIO-UHFFFAOYSA-N
XLogP4.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1019179
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28564551
4-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126186190
4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126417075
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 43881989
N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922522
2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2290648
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
CID 2967366

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (CID 2981252) is 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is IHILZEIYCCQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-16-14-17(15-28-18-8-4-3-5-9-18)12-13-20(16)23-22(25)19-10-6-7-11-21(19)24-29(2,26)27/h3-14,24H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 2981252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).