2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H23ClN2O4S — CID 4943957

IUPAC2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-15(27-18-9-5-16(21)6-10-18)20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyJZLDCOLDKIAVMC-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 4943957) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID4943957
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-15(27-18-9-5-16(21)6-10-18)20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyJZLDCOLDKIAVMC-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 26075032
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
2-(3,5-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17106280
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41156755
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 4943957) is 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is JZLDCOLDKIAVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15(27-18-9-5-16(21)6-10-18)20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 422.93 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4943957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).