2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone

C20H31N3O4S — CID 42975014

IUPAC2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C20H31N3O4S/c1-16-7-6-10-22(15-16)20(24)14-21-18-13-17(8-9-19(18)27-2)28(25,26)23-11-4-3-5-12-23/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3
InChIKeyTUXDWKJTJMWQEF-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone

2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 42975014) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID42975014
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C20H31N3O4S/c1-16-7-6-10-22(15-16)20(24)14-21-18-13-17(8-9-19(18)27-2)28(25,26)23-11-4-3-5-12-23/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3
InChIKeyTUXDWKJTJMWQEF-UHFFFAOYSA-N
XLogP2.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-1-(2-methylmorpholin-4-yl)ethanone
CID 55478397
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 23961089
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 40797160
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55364781
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55364871
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1-cyanocyclohexyl)acetamide
CID 43016000
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone (CID 42975014) is 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is TUXDWKJTJMWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-16-7-6-10-22(15-16)20(24)14-21-18-13-17(8-9-19(18)27-2)28(25,26)23-11-4-3-5-12-23/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 409.55 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 42975014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).