4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide

C21H20N2O3S2 — CID 1252501

IUPAC4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3S2/c1-15-11-12-16(21(24)22-18-9-6-10-19(14-18)27-2)13-20(15)28(25,26)23-17-7-4-3-5-8-17/h3-14,23H,1-2H3,(H,22,24)
InChIKeySCTCWQWRBJPAOV-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.77
Rot. Bonds6

About 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide

4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 1252501) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
PubChem CID1252501
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3S2/c1-15-11-12-16(21(24)22-18-9-6-10-19(14-18)27-2)13-20(15)28(25,26)23-17-7-4-3-5-8-17/h3-14,23H,1-2H3,(H,22,24)
InChIKeySCTCWQWRBJPAOV-UHFFFAOYSA-N
XLogP4.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1252514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide (CID 1252501) is 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide is CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is SCTCWQWRBJPAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-15-11-12-16(21(24)22-18-9-6-10-19(14-18)27-2)13-20(15)28(25,26)23-17-7-4-3-5-8-17/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide?
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 412.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 1252501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).