2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide

C19H29N3O4S — CID 46294919

IUPAC2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide
SMILESCCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-3-4-11-20-19(24)14-16-9-12-22(13-10-16)27(25,26)18-7-5-17(6-8-18)21-15(2)23/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMKAYODGVLDEONJ-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.35
Rot. Bonds8

About 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide

2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide (PubChem CID 46294919) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide
PubChem CID46294919
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide
SMILESCCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-3-4-11-20-19(24)14-16-9-12-22(13-10-16)27(25,26)18-7-5-17(6-8-18)21-15(2)23/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMKAYODGVLDEONJ-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92888158
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 92888154
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768020
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46294824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide?
The IUPAC name of 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide (CID 46294919) is 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide.
What is the SMILES notation for 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide?
The canonical SMILES for 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide is CCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide?
The InChIKey is MKAYODGVLDEONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-3-4-11-20-19(24)14-16-9-12-22(13-10-16)27(25,26)18-7-5-17(6-8-18)21-15(2)23/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide?
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide has a molecular weight of 395.53 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide is sourced from PubChem (CID 46294919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).