3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C18H28N2O4S — CID 55688252

IUPAC3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-15(2)14-24-13-10-18(21)19-16-6-8-17(9-7-16)25(22,23)20-11-4-3-5-12-20/h6-9,15H,3-5,10-14H2,1-2H3,(H,19,21)
InChIKeyACCRVCHTRHBYDC-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.86
Rot. Bonds8

About 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55688252) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55688252
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-15(2)14-24-13-10-18(21)19-16-6-8-17(9-7-16)25(22,23)20-11-4-3-5-12-20/h6-9,15H,3-5,10-14H2,1-2H3,(H,19,21)
InChIKeyACCRVCHTRHBYDC-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
2-(2-methylpropylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425954
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylpropanoic acid
CID 2997890
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55688252) is 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(C)COCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ACCRVCHTRHBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-15(2)14-24-13-10-18(21)19-16-6-8-17(9-7-16)25(22,23)20-11-4-3-5-12-20/h6-9,15H,3-5,10-14H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55688252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).