4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C17H27N3O4S — CID 120887645

IUPAC4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCNCC1
InChIInChI=1S/C17H27N3O4S/c1-20(2)25(22,23)15-6-4-14(5-7-15)16(21)19-12-17(13-24-3)8-10-18-11-9-17/h4-7,18H,8-13H2,1-3H3,(H,19,21)
InChIKeyCOGKILXKYDEICQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.68
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120887645) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120887645
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCNCC1
InChIInChI=1S/C17H27N3O4S/c1-20(2)25(22,23)15-6-4-14(5-7-15)16(21)19-12-17(13-24-3)8-10-18-11-9-17/h4-7,18H,8-13H2,1-3H3,(H,19,21)
InChIKeyCOGKILXKYDEICQ-UHFFFAOYSA-N
XLogP0.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
CID 120888691
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 120889360
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120888886
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120887645) is 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is COCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCNCC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is COGKILXKYDEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-20(2)25(22,23)15-6-4-14(5-7-15)16(21)19-12-17(13-24-3)8-10-18-11-9-17/h4-7,18H,8-13H2,1-3H3,(H,19,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120887645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).