N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C25H28N2O3S — CID 126242074

IUPACN-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C25H28N2O3S/c1-18-9-15-24(19(2)17-18)26-25(28)16-12-21-10-13-23(14-11-21)31(29,30)27-20(3)22-7-5-4-6-8-22/h4-11,13-15,17,20,27H,12,16H2,1-3H3,(H,26,28)/t20-/m1/s1
InChIKeyCRFAZDLUEFFYQW-HXUWFJFHSA-N
MW436.58 g/mol
LogP4.91
Rot. Bonds8

About N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 126242074) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID126242074
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C25H28N2O3S/c1-18-9-15-24(19(2)17-18)26-25(28)16-12-21-10-13-23(14-11-21)31(29,30)27-20(3)22-7-5-4-6-8-22/h4-11,13-15,17,20,27H,12,16H2,1-3H3,(H,26,28)/t20-/m1/s1
InChIKeyCRFAZDLUEFFYQW-HXUWFJFHSA-N
XLogP4.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239103
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
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-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-[4-(cyanomethyl)phenyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 100796380
N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126244326

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 126242074) is N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is CRFAZDLUEFFYQW-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18-9-15-24(19(2)17-18)26-25(28)16-12-21-10-13-23(14-11-21)31(29,30)27-20(3)22-7-5-4-6-8-22/h4-11,13-15,17,20,27H,12,16H2,1-3H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126242074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).