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

C21H20N2O4S — CID 1289257

IUPACN-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O4S/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)
InChIKeyZWIZUTLAZLFRBW-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.06
Rot. Bonds6

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

N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 1289257) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID1289257
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O4S/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)
InChIKeyZWIZUTLAZLFRBW-UHFFFAOYSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (CID 1289257) is N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is ZWIZUTLAZLFRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/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 N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 1289257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).