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

C18H27N3O4S — CID 72854361

IUPACN-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC3CC3)cc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-11-9-17(10-12-21)25-16-7-5-15(6-8-16)18(22)19-13-14-3-4-14/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyHKUULAYIXCCXET-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.48
Rot. Bonds7

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

N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (PubChem CID 72854361) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
PubChem CID72854361
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC3CC3)cc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-11-9-17(10-12-21)25-16-7-5-15(6-8-16)18(22)19-13-14-3-4-14/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyHKUULAYIXCCXET-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

N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72853080
N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72867578
N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 25296805
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 45188260
N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide
CID 46262720
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122161827
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 122161796
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 122161831

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (CID 72854361) is N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC3CC3)cc2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The InChIKey is HKUULAYIXCCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-11-9-17(10-12-21)25-16-7-5-15(6-8-16)18(22)19-13-14-3-4-14/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
N-(cyclopropylmethyl)-4-[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)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72854361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).