(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C23H28N2O6S — CID 26054553

IUPAC(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O6S/c1-16(26)18-7-12-21(22(15-18)30-3)31-17(2)23(27)24-19-8-10-20(11-9-19)32(28,29)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyYMCQJSJPHUJCLY-QGZVFWFLSA-N
MW460.55 g/mol
LogP3.48
Rot. Bonds8

About (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 26054553) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID26054553
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O6S/c1-16(26)18-7-12-21(22(15-18)30-3)31-17(2)23(27)24-19-8-10-20(11-9-19)32(28,29)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyYMCQJSJPHUJCLY-QGZVFWFLSA-N
XLogP3.48
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41156755
2-(2,4-difluorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17070647
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30387596
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4944790
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8730672
2-(3,5-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17106280
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100517901
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 42900794
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 26054553) is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YMCQJSJPHUJCLY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-16(26)18-7-12-21(22(15-18)30-3)31-17(2)23(27)24-19-8-10-20(11-9-19)32(28,29)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 460.55 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 26054553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).