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

C15H19IN2O4S — CID 90592768

IUPAC2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C15H19IN2O4S/c1-17-14(19)10-23(21,22)13-5-7-18(8-6-13)15(20)11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,17,19)
InChIKeyCDKXFTCLNYYPQD-UHFFFAOYSA-N
MW450.30 g/mol
LogP1.06
Rot. Bonds4

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

2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592768) has the molecular formula C15H19IN2O4S and a molecular weight of 450.30 g/mol. Its IUPAC name is 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592768
Molecular FormulaC15H19IN2O4S
Molecular Weight450.30 g/mol
Exact Mass450.01
IUPAC Name2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C15H19IN2O4S/c1-17-14(19)10-23(21,22)13-5-7-18(8-6-13)15(20)11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,17,19)
InChIKeyCDKXFTCLNYYPQD-UHFFFAOYSA-N
XLogP1.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
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
2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592510
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568
[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63397891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592768) is 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(I)c2)CC1.
What is the InChIKey of 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is CDKXFTCLNYYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O4S/c1-17-14(19)10-23(21,22)13-5-7-18(8-6-13)15(20)11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,17,19).
What are the key properties of 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 450.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).