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

C21H25ClN2O4S — CID 90733388

IUPAC2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide
SMILESCC(OCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C21H25ClN2O4S/c1-16(21(25)23-18-8-4-2-5-9-18)28-15-17-14-19(10-11-20(17)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,23,25)
InChIKeyVSJLXMMRGHTGPZ-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.06
Rot. Bonds7

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

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide (PubChem CID 90733388) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide
PubChem CID90733388
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide
SMILESCC(OCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C21H25ClN2O4S/c1-16(21(25)23-18-8-4-2-5-9-18)28-15-17-14-19(10-11-20(17)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,23,25)
InChIKeyVSJLXMMRGHTGPZ-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide
CID 69178578
[(2S)-1-anilino-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573922
[(2S)-1-anilino-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557001
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-but-3-enoxypropanamide
CID 47081584
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-phenylacetate
CID 7874721
[(2S)-1-anilino-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513774
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide?
The IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide (CID 90733388) is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide is CC(OCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide?
The InChIKey is VSJLXMMRGHTGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-16(21(25)23-18-8-4-2-5-9-18)28-15-17-14-19(10-11-20(17)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,23,25).
What are the key properties of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide?
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide has a molecular weight of 436.96 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide is sourced from PubChem (CID 90733388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).