N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

C26H31N3O5S2 — CID 133239103

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H31N3O5S2/c1-19-10-14-24(36(33,34)29(3)4)18-25(19)27-26(30)17-13-21-11-15-23(16-12-21)35(31,32)28-20(2)22-8-6-5-7-9-22/h5-12,14-16,18,20,28H,13,17H2,1-4H3,(H,27,30)
InChIKeyPOGMPZAZEWVWPN-UHFFFAOYSA-N
MW529.68 g/mol
LogP3.86
Rot. Bonds10

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 133239103) has the molecular formula C26H31N3O5S2 and a molecular weight of 529.68 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID133239103
Molecular FormulaC26H31N3O5S2
Molecular Weight529.68 g/mol
Exact Mass529.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H31N3O5S2/c1-19-10-14-24(36(33,34)29(3)4)18-25(19)27-26(30)17-13-21-11-15-23(16-12-21)35(31,32)28-20(2)22-8-6-5-7-9-22/h5-12,14-16,18,20,28H,13,17H2,1-4H3,(H,27,30)
InChIKeyPOGMPZAZEWVWPN-UHFFFAOYSA-N
XLogP3.86
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.68
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
CID 2211920
methyl 2-[3-[4-(1-phenylethylsulfamoyl)phenyl]propanoylamino]benzoate
CID 2957805
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126244326

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (CID 133239103) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is POGMPZAZEWVWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S2/c1-19-10-14-24(36(33,34)29(3)4)18-25(19)27-26(30)17-13-21-11-15-23(16-12-21)35(31,32)28-20(2)22-8-6-5-7-9-22/h5-12,14-16,18,20,28H,13,17H2,1-4H3,(H,27,30).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 529.68 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 133239103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).