(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

C22H28N2O5S — CID 26075409

IUPAC(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-3-21(29-19-11-9-18(28-2)10-12-19)22(25)23-17-7-13-20(14-8-17)30(26,27)24-15-5-4-6-16-24/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyKAECBCCEZABERB-OAQYLSRUSA-N
MW432.54 g/mol
LogP3.67
Rot. Bonds8

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

(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 26075409) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID26075409
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-3-21(29-19-11-9-18(28-2)10-12-19)22(25)23-17-7-13-20(14-8-17)30(26,27)24-15-5-4-6-16-24/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyKAECBCCEZABERB-OAQYLSRUSA-N
XLogP3.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide with MolForge

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
CID 24816757
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
CID 92679610
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 43904320
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41156755
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)butanamide
CID 4950124
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide (CID 26075409) is (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide is CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is KAECBCCEZABERB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-3-21(29-19-11-9-18(28-2)10-12-19)22(25)23-17-7-13-20(14-8-17)30(26,27)24-15-5-4-6-16-24/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 432.54 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 26075409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).