3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide

C19H29N3O5S — CID 42393600

IUPAC3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
SMILESCN(C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)[C@@H]1CCOC1
InChIInChI=1S/C19H29N3O5S/c1-20(2)28(24,25)22-10-7-17(8-11-22)27-18-6-4-5-15(13-18)19(23)21(3)16-9-12-26-14-16/h4-6,13,16-17H,7-12,14H2,1-3H3/t16-/m1/s1
InChIKeyBAADOCZWVJUVOK-MRXNPFEDSA-N
MW411.52 g/mol
LogP1.20
Rot. Bonds6

About 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide

3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide (PubChem CID 42393600) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
PubChem CID42393600
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
SMILESCN(C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)[C@@H]1CCOC1
InChIInChI=1S/C19H29N3O5S/c1-20(2)28(24,25)22-10-7-17(8-11-22)27-18-6-4-5-15(13-18)19(23)21(3)16-9-12-26-14-16/h4-6,13,16-17H,7-12,14H2,1-3H3/t16-/m1/s1
InChIKeyBAADOCZWVJUVOK-MRXNPFEDSA-N
XLogP1.20
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72853080
N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide
CID 25280901
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
4-[3-[(1S,5R)-6-azabicyclo[3.2.1]octane-6-carbonyl]phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 133138526
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 45200875
3-(oxan-4-yloxy)benzoic acid
CID 23149060
N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72854361
N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 45191105
[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone
CID 42512088
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide (CID 42393600) is 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide is CN(C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)[C@@H]1CCOC1.
What is the InChIKey of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is BAADOCZWVJUVOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-20(2)28(24,25)22-10-7-17(8-11-22)27-18-6-4-5-15(13-18)19(23)21(3)16-9-12-26-14-16/h4-6,13,16-17H,7-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide?
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 411.52 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 42393600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).