N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide

C20H32N2O4S — CID 34348063

IUPACN-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)COc2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C20H32N2O4S/c1-5-12-27(24,25)21-18-8-10-22(11-9-18)20(23)14-26-19-13-17(15(2)3)7-6-16(19)4/h6-7,13,15,18,21H,5,8-12,14H2,1-4H3
InChIKeyMQLQSTXYDWPWOZ-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.82
Rot. Bonds8

About N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 34348063) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID34348063
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)COc2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C20H32N2O4S/c1-5-12-27(24,25)21-18-8-10-22(11-9-18)20(23)14-26-19-13-17(15(2)3)7-6-16(19)4/h6-7,13,15,18,21H,5,8-12,14H2,1-4H3
InChIKeyMQLQSTXYDWPWOZ-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
CID 108565033
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931242
N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349122
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 38573516
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31348908
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 55683897
4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide (CID 34348063) is N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)COc2cc(C(C)C)ccc2C)CC1.
What is the InChIKey of N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is MQLQSTXYDWPWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-5-12-27(24,25)21-18-8-10-22(11-9-18)20(23)14-26-19-13-17(15(2)3)7-6-16(19)4/h6-7,13,15,18,21H,5,8-12,14H2,1-4H3.
What are the key properties of N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 396.55 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 34348063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).