2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

C17H28ClN3O4S — CID 120888886

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-20(25(22,23)15-6-4-3-5-7-15)12-16(21)19-13-17(14-24-2)8-10-18-11-9-17;/h3-7,18H,8-14H2,1-2H3,(H,19,21);1H
InChIKeyKAIIYNCLIJQFBT-UHFFFAOYSA-N
MW405.95 g/mol
LogP0.86
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120888886) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID120888886
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-20(25(22,23)15-6-4-3-5-7-15)12-16(21)19-13-17(14-24-2)8-10-18-11-9-17;/h3-7,18H,8-14H2,1-2H3,(H,19,21);1H
InChIKeyKAIIYNCLIJQFBT-UHFFFAOYSA-N
XLogP0.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
2-(diethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891332
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 120890633

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (CID 120888886) is 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is COCC1(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)CCNCC1.Cl.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is KAIIYNCLIJQFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-20(25(22,23)15-6-4-3-5-7-15)12-16(21)19-13-17(14-24-2)8-10-18-11-9-17;/h3-7,18H,8-14H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120888886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).