N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide

C18H27N3O4S — CID 72853080

IUPACN-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NCC3CC3)c2)CC1
InChIInChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-10-8-16(9-11-21)25-17-5-3-4-15(12-17)18(22)19-13-14-6-7-14/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,19,22)
InChIKeyNEHUUGIIEPRMHI-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.48
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide

N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (PubChem CID 72853080) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
PubChem CID72853080
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NCC3CC3)c2)CC1
InChIInChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-10-8-16(9-11-21)25-17-5-3-4-15(12-17)18(22)19-13-14-6-7-14/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,19,22)
InChIKeyNEHUUGIIEPRMHI-UHFFFAOYSA-N
XLogP1.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72854361
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 42393600
N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72867578
4-[3-[(1S,5R)-6-azabicyclo[3.2.1]octane-6-carbonyl]phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 133138526
N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418
N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide
CID 91919031
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (CID 72853080) is N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NCC3CC3)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The InChIKey is NEHUUGIIEPRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-10-8-16(9-11-21)25-17-5-3-4-15(12-17)18(22)19-13-14-6-7-14/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide has a molecular weight of 381.50 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72853080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).