N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide

C23H25N3O3S — CID 55898387

IUPACN-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NCc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H25N3O3S/c1-17-12-13-20(25-23(27)19-9-5-4-6-10-19)15-22(17)24-16-18-8-7-11-21(14-18)30(28,29)26(2)3/h4-15,24H,16H2,1-3H3,(H,25,27)
InChIKeyJZOKUMYZYAAIHL-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.11
Rot. Bonds7

About N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide

N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide (PubChem CID 55898387) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide
PubChem CID55898387
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NCc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H25N3O3S/c1-17-12-13-20(25-23(27)19-9-5-4-6-10-19)15-22(17)24-16-18-8-7-11-21(14-18)30(28,29)26(2)3/h4-15,24H,16H2,1-3H3,(H,25,27)
InChIKeyJZOKUMYZYAAIHL-UHFFFAOYSA-N
XLogP4.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 47064079
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide?
The IUPAC name of N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide (CID 55898387) is N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NCc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide?
The InChIKey is JZOKUMYZYAAIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17-12-13-20(25-23(27)19-9-5-4-6-10-19)15-22(17)24-16-18-8-7-11-21(14-18)30(28,29)26(2)3/h4-15,24H,16H2,1-3H3,(H,25,27).
What are the key properties of N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide?
N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide is sourced from PubChem (CID 55898387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).