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

C21H20N2O3S2 — CID 989305

IUPAC4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H20N2O3S2/c1-23(28(2,25)26)17-14-12-16(13-15-17)21(24)22-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,22,24)
InChIKeyGBLAPOQEXXBLDN-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.49
Rot. Bonds6

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

4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 989305) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID989305
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H20N2O3S2/c1-23(28(2,25)26)17-14-12-16(13-15-17)21(24)22-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,22,24)
InChIKeyGBLAPOQEXXBLDN-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide (CID 989305) is 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide is CN(c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is GBLAPOQEXXBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-23(28(2,25)26)17-14-12-16(13-15-17)21(24)22-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,22,24).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 412.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 989305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).