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

C25H28N2O4S — CID 126234412

IUPACN-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-24-12-8-7-11-23(24)26-25(28)18-15-20-13-16-22(17-14-20)32(29,30)27-19(2)21-9-5-4-6-10-21/h4-14,16-17,19,27H,3,15,18H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyWBEMHTLTBZKFHD-LJQANCHMSA-N
MW452.58 g/mol
LogP4.70
Rot. Bonds10

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

N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 126234412) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID126234412
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-24-12-8-7-11-23(24)26-25(28)18-15-20-13-16-22(17-14-20)32(29,30)27-19(2)21-9-5-4-6-10-21/h4-14,16-17,19,27H,3,15,18H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyWBEMHTLTBZKFHD-LJQANCHMSA-N
XLogP4.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
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-[2-ethoxy-5-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 7368615
N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239074
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239103
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 126234412) is N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is WBEMHTLTBZKFHD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-31-24-12-8-7-11-23(24)26-25(28)18-15-20-13-16-22(17-14-20)32(29,30)27-19(2)21-9-5-4-6-10-21/h4-14,16-17,19,27H,3,15,18H2,1-2H3,(H,26,28)/t19-/m1/s1.
What are the key properties of N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 452.58 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126234412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).