4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

C20H33N3O5S — CID 23723751

IUPAC4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(C)C
InChIInChI=1S/C20H33N3O5S/c1-16(2)23(14-15-27-5)20(24)17-6-8-18(9-7-17)28-19-10-12-22(13-11-19)29(25,26)21(3)4/h6-9,16,19H,10-15H2,1-5H3
InChIKeyMULAQLZGEKOIJF-UHFFFAOYSA-N
MW427.57 g/mol
LogP1.83
Rot. Bonds9

About 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (PubChem CID 23723751) has the molecular formula C20H33N3O5S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
PubChem CID23723751
Molecular FormulaC20H33N3O5S
Molecular Weight427.57 g/mol
Exact Mass427.21
IUPAC Name4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(C)C
InChIInChI=1S/C20H33N3O5S/c1-16(2)23(14-15-27-5)20(24)17-6-8-18(9-7-17)28-19-10-12-22(13-11-19)29(25,26)21(3)4/h6-9,16,19H,10-15H2,1-5H3
InChIKeyMULAQLZGEKOIJF-UHFFFAOYSA-N
XLogP1.83
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide with MolForge

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Related Compounds

Molracetam
CID 779179
Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
4-(4-Methoxybenzoyl)morpholine
CID 82013
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
A-349821 free base
CID 9954017
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 49855513
8-(4-Methoxybenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242064
4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036359
4-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036360

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (CID 23723751) is 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is COCCN(C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(C)C.
What is the InChIKey of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is MULAQLZGEKOIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5S/c1-16(2)23(14-15-27-5)20(24)17-6-8-18(9-7-17)28-19-10-12-22(13-11-19)29(25,26)21(3)4/h6-9,16,19H,10-15H2,1-5H3.
What are the key properties of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 427.57 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 23723751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).