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

C20H24N2O4S — CID 2948246

IUPAC2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16(26-18-8-4-2-5-9-18)20(23)21-17-10-12-19(13-11-17)27(24,25)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,21,23)
InChIKeyLZZDWYKRDLJJLM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.27
Rot. Bonds6

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

2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 2948246) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID2948246
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16(26-18-8-4-2-5-9-18)20(23)21-17-10-12-19(13-11-17)27(24,25)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,21,23)
InChIKeyLZZDWYKRDLJJLM-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
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
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
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
(2S)-2-(3-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7865173
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
[(2S)-1-anilino-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557001
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-phenylacetate
CID 7874721
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
CID 2210421

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 2948246) is 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LZZDWYKRDLJJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16(26-18-8-4-2-5-9-18)20(23)21-17-10-12-19(13-11-17)27(24,25)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,21,23).
What are the key properties of 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).