3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C21H21N3O3S — CID 9116780

IUPAC3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-16(18-6-3-2-4-7-18)24-28(26,27)20-9-5-8-19(14-20)21(25)23-15-17-10-12-22-13-11-17/h2-14,16,24H,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyCHCZJKNJKPKTDK-INIZCTEOSA-N
MW395.48 g/mol
LogP3.05
Rot. Bonds7

About 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 9116780) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID9116780
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-16(18-6-3-2-4-7-18)24-28(26,27)20-9-5-8-19(14-20)21(25)23-15-17-10-12-22-13-11-17/h2-14,16,24H,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyCHCZJKNJKPKTDK-INIZCTEOSA-N
XLogP3.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 78852030
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 9116780) is 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is C[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1)c1ccccc1.
What is the InChIKey of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is CHCZJKNJKPKTDK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16(18-6-3-2-4-7-18)24-28(26,27)20-9-5-8-19(14-20)21(25)23-15-17-10-12-22-13-11-17/h2-14,16,24H,15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 9116780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).