N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C27H26N2O3S — CID 126235471

IUPACN-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C27H26N2O3S/c1-20(22-8-3-2-4-9-22)29-33(31,32)24-17-14-21(15-18-24)16-19-27(30)28-26-13-7-11-23-10-5-6-12-25(23)26/h2-15,17-18,20,29H,16,19H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyMMGMIJOVICQSRE-FQEVSTJZSA-N
MW458.58 g/mol
LogP5.45
Rot. Bonds8

About N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 126235471) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID126235471
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C27H26N2O3S/c1-20(22-8-3-2-4-9-22)29-33(31,32)24-17-14-21(15-18-24)16-19-27(30)28-26-13-7-11-23-10-5-6-12-25(23)26/h2-15,17-18,20,29H,16,19H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyMMGMIJOVICQSRE-FQEVSTJZSA-N
XLogP5.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]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-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
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-(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-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239103
N-[4-(cyanomethyl)phenyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 100796380

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 126235471) is N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is MMGMIJOVICQSRE-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-20(22-8-3-2-4-9-22)29-33(31,32)24-17-14-21(15-18-24)16-19-27(30)28-26-13-7-11-23-10-5-6-12-25(23)26/h2-15,17-18,20,29H,16,19H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 458.58 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126235471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).