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

C23H24N2O3S2 — CID 1019179

IUPAC2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S2/c1-17-15-18(16-29-19-9-5-4-6-10-19)13-14-21(17)24-23(26)20-11-7-8-12-22(20)25(2)30(3,27)28/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyYIKKBCWABFYFPB-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.94
Rot. Bonds7

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

2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 1019179) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID1019179
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S2/c1-17-15-18(16-29-19-9-5-4-6-10-19)13-14-21(17)24-23(26)20-11-7-8-12-22(20)25(2)30(3,27)28/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyYIKKBCWABFYFPB-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126186190
2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2981252
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 43881989
2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2290648
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514
4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28564551
N-(2,4-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947524
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
CID 2967366
N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922522
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide
CID 2984578

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (CID 1019179) is 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is YIKKBCWABFYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-17-15-18(16-29-19-9-5-4-6-10-19)13-14-21(17)24-23(26)20-11-7-8-12-22(20)25(2)30(3,27)28/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 1019179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).