N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide

C23H31N3O4S — CID 33297350

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-25(2)22-14-13-20(31(28,29)26-15-7-4-8-16-26)18-21(22)24-23(27)12-9-17-30-19-10-5-3-6-11-19/h3,5-6,10-11,13-14,18H,4,7-9,12,15-17H2,1-2H3,(H,24,27)
InChIKeyQXOLNGFHSSCKPD-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.72
Rot. Bonds9

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide (PubChem CID 33297350) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
PubChem CID33297350
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-25(2)22-14-13-20(31(28,29)26-15-7-4-8-16-26)18-21(22)24-23(27)12-9-17-30-19-10-5-3-6-11-19/h3,5-6,10-11,13-14,18H,4,7-9,12,15-17H2,1-2H3,(H,24,27)
InChIKeyQXOLNGFHSSCKPD-UHFFFAOYSA-N
XLogP3.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26292461
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25336526
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 55344900
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26292496
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 39975511
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 24980261

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide (CID 33297350) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide is CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide?
The InChIKey is QXOLNGFHSSCKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-25(2)22-14-13-20(31(28,29)26-15-7-4-8-16-26)18-21(22)24-23(27)12-9-17-30-19-10-5-3-6-11-19/h3,5-6,10-11,13-14,18H,4,7-9,12,15-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide has a molecular weight of 445.59 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide is sourced from PubChem (CID 33297350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).