2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide

C22H28N2O4S — CID 46511334

IUPAC2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-3-17(2)22(25)23-20-16-19(29(26,27)24-14-8-5-9-15-24)12-13-21(20)28-18-10-6-4-7-11-18/h4,6-7,10-13,16-17H,3,5,8-9,14-15H2,1-2H3,(H,23,25)
InChIKeyIBXIOYLUUAOUSM-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.64
Rot. Bonds7

About 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide

2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 46511334) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID46511334
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-3-17(2)22(25)23-20-16-19(29(26,27)24-14-8-5-9-15-24)12-13-21(20)28-18-10-6-4-7-11-18/h4,6-7,10-13,16-17H,3,5,8-9,14-15H2,1-2H3,(H,23,25)
InChIKeyIBXIOYLUUAOUSM-UHFFFAOYSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 55364062
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
CID 92679610
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077650
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24505987
(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26065788
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide (CID 46511334) is 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide is CCC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is IBXIOYLUUAOUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-17(2)22(25)23-20-16-19(29(26,27)24-14-8-5-9-15-24)12-13-21(20)28-18-10-6-4-7-11-18/h4,6-7,10-13,16-17H,3,5,8-9,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 416.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 46511334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).