2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide

C20H24ClN3O4S — CID 69178578

IUPAC2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide
SMILESCC(OCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1ccccn1
InChIInChI=1S/C20H24ClN3O4S/c1-15(20(25)23-19-7-3-4-10-22-19)28-14-16-13-17(8-9-18(16)21)29(26,27)24-11-5-2-6-12-24/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,22,23,25)
InChIKeyONMZUENHNOXBFR-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.45
Rot. Bonds7

About 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide (PubChem CID 69178578) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide
PubChem CID69178578
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide
SMILESCC(OCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1ccccn1
InChIInChI=1S/C20H24ClN3O4S/c1-15(20(25)23-19-7-3-4-10-22-19)28-14-16-13-17(8-9-18(16)21)29(26,27)24-11-5-2-6-12-24/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,22,23,25)
InChIKeyONMZUENHNOXBFR-UHFFFAOYSA-N
XLogP3.45
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide
CID 90733388
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
CID 11774197
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 17443656
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
[1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 16525805
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
CID 11223980
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42912049
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-but-3-enoxypropanamide
CID 47081584
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599219
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
propan-2-yl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 46668568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide (CID 69178578) is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide is CC(OCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1ccccn1.
What is the InChIKey of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide?
The InChIKey is ONMZUENHNOXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-15(20(25)23-19-7-3-4-10-22-19)28-14-16-13-17(8-9-18(16)21)29(26,27)24-11-5-2-6-12-24/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,22,23,25).
What are the key properties of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide?
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide has a molecular weight of 437.95 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 69178578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).