N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide

C21H27N3O3S — CID 4611324

IUPACN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-3-9-21(25)23-18-10-12-19(13-11-18)28(26,27)24-15-5-4-8-20(24)17-7-6-14-22-16-17/h6-7,10-14,16,20H,2-5,8-9,15H2,1H3,(H,23,25)
InChIKeyZAVAKSHBFXECCG-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.13
Rot. Bonds7

About N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide

N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide (PubChem CID 4611324) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide
PubChem CID4611324
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-3-9-21(25)23-18-10-12-19(13-11-18)28(26,27)24-15-5-4-8-20(24)17-7-6-14-22-16-17/h6-7,10-14,16,20H,2-5,8-9,15H2,1H3,(H,23,25)
InChIKeyZAVAKSHBFXECCG-UHFFFAOYSA-N
XLogP4.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide?
The IUPAC name of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide (CID 4611324) is N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide.
What is the SMILES notation for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide?
The canonical SMILES for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide is CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1.
What is the InChIKey of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide?
The InChIKey is ZAVAKSHBFXECCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-3-9-21(25)23-18-10-12-19(13-11-18)28(26,27)24-15-5-4-8-20(24)17-7-6-14-22-16-17/h6-7,10-14,16,20H,2-5,8-9,15H2,1H3,(H,23,25).
What are the key properties of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide?
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide has a molecular weight of 401.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide is sourced from PubChem (CID 4611324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).