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

C17H27N3O4S — CID 120888580

IUPAC3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C17H27N3O4S/c1-3-20-25(22,23)15-6-4-5-14(11-15)16(21)19-12-17(13-24-2)7-9-18-10-8-17/h4-6,11,18,20H,3,7-10,12-13H2,1-2H3,(H,19,21)
InChIKeyNWNSFYWNSQSEOB-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.73
Rot. Bonds8

About 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120888580) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120888580
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C17H27N3O4S/c1-3-20-25(22,23)15-6-4-5-14(11-15)16(21)19-12-17(13-24-2)7-9-18-10-8-17/h4-6,11,18,20H,3,7-10,12-13H2,1-2H3,(H,19,21)
InChIKeyNWNSFYWNSQSEOB-UHFFFAOYSA-N
XLogP0.73
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120889315
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 120887481
3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120888580) is 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCC2(COC)CCNCC2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is NWNSFYWNSQSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-3-20-25(22,23)15-6-4-5-14(11-15)16(21)19-12-17(13-24-2)7-9-18-10-8-17/h4-6,11,18,20H,3,7-10,12-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120888580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).