N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide

C25H27N3O4S — CID 17154235

IUPACN-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-19-12-14-21(15-13-19)33(31,32)26-17-16-24(29)27-23-11-7-6-10-22(23)25(30)28(2)18-20-8-4-3-5-9-20/h3-15,26H,16-18H2,1-2H3,(H,27,29)
InChIKeyQHDGHMXZDVSHOV-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.57
Rot. Bonds9

About N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide

N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 17154235) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID17154235
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-19-12-14-21(15-13-19)33(31,32)26-17-16-24(29)27-23-11-7-6-10-22(23)25(30)28(2)18-20-8-4-3-5-9-20/h3-15,26H,16-18H2,1-2H3,(H,27,29)
InChIKeyQHDGHMXZDVSHOV-UHFFFAOYSA-N
XLogP3.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
CID 17192300
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
CID 86807944
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 4937429
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
CID 17311665
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide (CID 17154235) is N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is QHDGHMXZDVSHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-19-12-14-21(15-13-19)33(31,32)26-17-16-24(29)27-23-11-7-6-10-22(23)25(30)28(2)18-20-8-4-3-5-9-20/h3-15,26H,16-18H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 17154235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).