N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C25H28N2O3S — CID 126236704

IUPACN-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1C
InChIInChI=1S/C25H28N2O3S/c1-19-7-6-10-24(20(19)2)27-25(28)16-13-22-11-14-23(15-12-22)31(29,30)26-18-17-21-8-4-3-5-9-21/h3-12,14-15,26H,13,16-18H2,1-2H3,(H,27,28)
InChIKeyYZGVYEMDNPKKJX-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.40
Rot. Bonds9

About N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 126236704) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID126236704
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1C
InChIInChI=1S/C25H28N2O3S/c1-19-7-6-10-24(20(19)2)27-25(28)16-13-22-11-14-23(15-12-22)31(29,30)26-18-17-21-8-4-3-5-9-21/h3-12,14-15,26H,13,16-18H2,1-2H3,(H,27,28)
InChIKeyYZGVYEMDNPKKJX-UHFFFAOYSA-N
XLogP4.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 126267768
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 126236704) is N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is YZGVYEMDNPKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-7-6-10-24(20(19)2)27-25(28)16-13-22-11-14-23(15-12-22)31(29,30)26-18-17-21-8-4-3-5-9-21/h3-12,14-15,26H,13,16-18H2,1-2H3,(H,27,28).
What are the key properties of N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 126236704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).