N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C24H31N3O3S — CID 32621375

IUPACN-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C24H31N3O3S/c28-24(25-22-8-2-3-9-23(22)26-16-4-1-5-17-26)15-12-20-10-13-21(14-11-20)31(29,30)27-18-6-7-19-27/h2-3,8-11,13-14H,1,4-7,12,15-19H2,(H,25,28)
InChIKeyZWHWMSOZXOLKBX-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.03
Rot. Bonds7

About N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 32621375) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID32621375
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C24H31N3O3S/c28-24(25-22-8-2-3-9-23(22)26-16-4-1-5-17-26)15-12-20-10-13-21(14-11-20)31(29,30)27-18-6-7-19-27/h2-3,8-11,13-14H,1,4-7,12,15-19H2,(H,25,28)
InChIKeyZWHWMSOZXOLKBX-UHFFFAOYSA-N
XLogP4.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 32621375) is N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ZWHWMSOZXOLKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-24(25-22-8-2-3-9-23(22)26-16-4-1-5-17-26)15-12-20-10-13-21(14-11-20)31(29,30)27-18-6-7-19-27/h2-3,8-11,13-14H,1,4-7,12,15-19H2,(H,25,28).
What are the key properties of N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 441.60 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 32621375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).