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

C23H24N2O3S — CID 1007033

IUPACN-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18(20-8-4-2-5-9-20)25-29(27,28)22-15-12-19(13-16-22)14-17-23(26)24-21-10-6-3-7-11-21/h2-13,15-16,18,25H,14,17H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLYJRIGNONWSXTP-SFHVURJKSA-N
MW408.52 g/mol
LogP4.30
Rot. Bonds8

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

N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 1007033) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID1007033
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18(20-8-4-2-5-9-20)25-29(27,28)22-15-12-19(13-16-22)14-17-23(26)24-21-10-6-3-7-11-21/h2-13,15-16,18,25H,14,17H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLYJRIGNONWSXTP-SFHVURJKSA-N
XLogP4.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126244326
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
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 132685123
methyl 2-[3-[4-(1-phenylethylsulfamoyl)phenyl]propanoylamino]benzoate
CID 2957805
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
CID 2211920
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 1304672

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 1007033) is N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is LYJRIGNONWSXTP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18(20-8-4-2-5-9-20)25-29(27,28)22-15-12-19(13-16-22)14-17-23(26)24-21-10-6-3-7-11-21/h2-13,15-16,18,25H,14,17H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 1007033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).