2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide

C19H28N4O6S — CID 24660305

IUPAC2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide
SMILESCN(CC(=O)NC1CCN(CC(N)=O)CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H28N4O6S/c1-22(13-19(25)21-14-5-7-23(8-6-14)12-18(20)24)30(26,27)15-3-4-16-17(11-15)29-10-2-9-28-16/h3-4,11,14H,2,5-10,12-13H2,1H3,(H2,20,24)(H,21,25)
InChIKeyUTAYENFUOWCOMB-UHFFFAOYSA-N
MW440.52 g/mol
LogP-0.47
Rot. Bonds7

About 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide

2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 24660305) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide
PubChem CID24660305
Molecular FormulaC19H28N4O6S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide
SMILESCN(CC(=O)NC1CCN(CC(N)=O)CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H28N4O6S/c1-22(13-19(25)21-14-5-7-23(8-6-14)12-18(20)24)30(26,27)15-3-4-16-17(11-15)29-10-2-9-28-16/h3-4,11,14H,2,5-10,12-13H2,1H3,(H2,20,24)(H,21,25)
InChIKeyUTAYENFUOWCOMB-UHFFFAOYSA-N
XLogP-0.47
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-methoxyacetamide
CID 30797016
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 8815778
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 43046506
N-(1-adamantyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide
CID 24650458
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 24650680
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 24650475
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide
CID 43046659
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 24650732
N-(3-butoxypropyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide
CID 30599544
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-methyl-N-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51884778
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide (CID 24660305) is 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide is CN(CC(=O)NC1CCN(CC(N)=O)CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is UTAYENFUOWCOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-22(13-19(25)21-14-5-7-23(8-6-14)12-18(20)24)30(26,27)15-3-4-16-17(11-15)29-10-2-9-28-16/h3-4,11,14H,2,5-10,12-13H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide?
2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 440.52 g/mol, XLogP of -0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 24660305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).