N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 109060926

IUPACN-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S/c25-21(23-14-12-17-5-2-1-3-6-17)19-8-10-20(11-9-19)28(26,27)24-16-18-7-4-13-22-15-18/h1-11,13,15,24H,12,14,16H2,(H,23,25)
InChIKeyIRDKKSMGPZVXBE-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.53
Rot. Bonds8

About N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide

N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 109060926) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID109060926
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S/c25-21(23-14-12-17-5-2-1-3-6-17)19-8-10-20(11-9-19)28(26,27)24-16-18-7-4-13-22-15-18/h1-11,13,15,24H,12,14,16H2,(H,23,25)
InChIKeyIRDKKSMGPZVXBE-UHFFFAOYSA-N
XLogP2.53
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 109060926) is N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is IRDKKSMGPZVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(23-14-12-17-5-2-1-3-6-17)19-8-10-20(11-9-19)28(26,27)24-16-18-7-4-13-22-15-18/h1-11,13,15,24H,12,14,16H2,(H,23,25).
What are the key properties of N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).