N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide

C17H25N3O6S2 — CID 90592591

IUPACN-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C17H25N3O6S2/c1-13-4-3-5-15(10-13)28(25,26)19-11-17(22)20-8-6-14(7-9-20)27(23,24)12-16(21)18-2/h3-5,10,14,19H,6-9,11-12H2,1-2H3,(H,18,21)
InChIKeyFTEHSQBQESZCGZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP-0.57
Rot. Bonds7

About N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide (PubChem CID 90592591) has the molecular formula C17H25N3O6S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
PubChem CID90592591
Molecular FormulaC17H25N3O6S2
Molecular Weight431.54 g/mol
Exact Mass431.12
IUPAC NameN-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C17H25N3O6S2/c1-13-4-3-5-15(10-13)28(25,26)19-11-17(22)20-8-6-14(7-9-20)27(23,24)12-16(21)18-2/h3-5,10,14,19H,6-9,11-12H2,1-2H3,(H,18,21)
InChIKeyFTEHSQBQESZCGZ-UHFFFAOYSA-N
XLogP-0.57
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 121186921
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592588
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982
N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592892
2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 72718859
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
N-methyl-4-[1-[2-[[3-(4-propan-2-ylphenyl)phenyl]sulfonylamino]acetyl]piperidin-4-yl]butanamide
CID 145469065

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide (CID 90592591) is N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide?
The InChIKey is FTEHSQBQESZCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S2/c1-13-4-3-5-15(10-13)28(25,26)19-11-17(22)20-8-6-14(7-9-20)27(23,24)12-16(21)18-2/h3-5,10,14,19H,6-9,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide has a molecular weight of 431.54 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).