2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide

C17H25N3O4S — CID 90592529

IUPAC2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C17H25N3O4S/c1-18-16(21)12-25(23,24)15-7-9-20(10-8-15)17(22)13-5-4-6-14(11-13)19(2)3/h4-6,11,15H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyXWFYZWQPDSXIFT-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.52
Rot. Bonds5

About 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592529) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592529
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C17H25N3O4S/c1-18-16(21)12-25(23,24)15-7-9-20(10-8-15)17(22)13-5-4-6-14(11-13)19(2)3/h4-6,11,15H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyXWFYZWQPDSXIFT-UHFFFAOYSA-N
XLogP0.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592510

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592529) is 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is XWFYZWQPDSXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-18-16(21)12-25(23,24)15-7-9-20(10-8-15)17(22)13-5-4-6-14(11-13)19(2)3/h4-6,11,15H,7-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 367.47 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).