3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide

C23H25N3O3S — CID 18552568

IUPAC3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-18(21-5-3-2-4-6-21)26-30(28,29)22-10-7-19(8-11-22)9-12-23(27)25-17-20-13-15-24-16-14-20/h2-8,10-11,13-16,18,26H,9,12,17H2,1H3,(H,25,27)
InChIKeyPBWOAEZUZPQPKW-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.37
Rot. Bonds9

About 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide

3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 18552568) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID18552568
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-18(21-5-3-2-4-6-21)26-30(28,29)22-10-7-19(8-11-22)9-12-23(27)25-17-20-13-15-24-16-14-20/h2-8,10-11,13-16,18,26H,9,12,17H2,1H3,(H,25,27)
InChIKeyPBWOAEZUZPQPKW-UHFFFAOYSA-N
XLogP3.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239074
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-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
N-[(4-methylphenyl)methyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4270828
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
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-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide (CID 18552568) is 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide is CC(NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is PBWOAEZUZPQPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18(21-5-3-2-4-6-21)26-30(28,29)22-10-7-19(8-11-22)9-12-23(27)25-17-20-13-15-24-16-14-20/h2-8,10-11,13-16,18,26H,9,12,17H2,1H3,(H,25,27).
What are the key properties of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide?
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 423.54 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 18552568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).