3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

C20H33N3O4S — CID 55658978

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCC(C(C)C)N2CCC(C)CC2)c1
InChIInChI=1S/C20H33N3O4S/c1-15(2)19(23-11-9-16(3)10-12-23)14-21-20(24)17-7-6-8-18(13-17)28(25,26)22(4)27-5/h6-8,13,15-16,19H,9-12,14H2,1-5H3,(H,21,24)
InChIKeyMMEBRAGNQBGGCY-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.35
Rot. Bonds8

About 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 55658978) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID55658978
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCC(C(C)C)N2CCC(C)CC2)c1
InChIInChI=1S/C20H33N3O4S/c1-15(2)19(23-11-9-16(3)10-12-23)14-21-20(24)17-7-6-8-18(13-17)28(25,26)22(4)27-5/h6-8,13,15-16,19H,9-12,14H2,1-5H3,(H,21,24)
InChIKeyMMEBRAGNQBGGCY-UHFFFAOYSA-N
XLogP2.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 51941744
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60510665
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658240
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
3-[methoxy(methyl)sulfamoyl]-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]benzamide
CID 125141108
3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide
CID 125141107

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (CID 55658978) is 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NCC(C(C)C)N2CCC(C)CC2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is MMEBRAGNQBGGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-15(2)19(23-11-9-16(3)10-12-23)14-21-20(24)17-7-6-8-18(13-17)28(25,26)22(4)27-5/h6-8,13,15-16,19H,9-12,14H2,1-5H3,(H,21,24).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 411.57 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 55658978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).