3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide

C22H23N3O3S — CID 1008149

IUPAC3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17-4-9-20(10-5-17)25-29(27,28)21-11-6-18(7-12-21)8-13-22(26)24-16-19-3-2-14-23-15-19/h2-7,9-12,14-15,25H,8,13,16H2,1H3,(H,24,26)
InChIKeyYOIIAPXNVSBCRA-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.44
Rot. Bonds8

About 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide

3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 1008149) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID1008149
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17-4-9-20(10-5-17)25-29(27,28)21-11-6-18(7-12-21)8-13-22(26)24-16-19-3-2-14-23-15-19/h2-7,9-12,14-15,25H,8,13,16H2,1H3,(H,24,26)
InChIKeyYOIIAPXNVSBCRA-UHFFFAOYSA-N
XLogP3.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 1008149) is 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is YOIIAPXNVSBCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17-4-9-20(10-5-17)25-29(27,28)21-11-6-18(7-12-21)8-13-22(26)24-16-19-3-2-14-23-15-19/h2-7,9-12,14-15,25H,8,13,16H2,1H3,(H,24,26).
What are the key properties of 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 409.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 1008149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).