N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C20H25N3O4S — CID 47941634

IUPACN-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)CNC(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H25N3O4S/c1-28(26,27)23-11-5-9-17(14-23)22-20(25)13-21-19(24)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17H,5,9,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyGJWJOYXTKNEBBE-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.04
Rot. Bonds6

About N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 47941634) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID47941634
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)CNC(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H25N3O4S/c1-28(26,27)23-11-5-9-17(14-23)22-20(25)13-21-19(24)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17H,5,9,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyGJWJOYXTKNEBBE-UHFFFAOYSA-N
XLogP1.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119620405
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119457551
1-[2-(2-methylphenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47743658
4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55502373
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
CID 16602108
(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide
CID 75408342
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 47941634) is N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CS(=O)(=O)N1CCCC(NC(=O)CNC(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is GJWJOYXTKNEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-28(26,27)23-11-5-9-17(14-23)22-20(25)13-21-19(24)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17H,5,9,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 403.50 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 47941634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).