3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide

C19H30N2O4S — CID 55717475

IUPAC3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOC2CCCCC2C)cc(C)c1C
InChIInChI=1S/C19H30N2O4S/c1-13-7-5-6-8-17(13)25-10-9-21-19(22)16-11-14(2)15(3)18(12-16)26(23,24)20-4/h11-13,17,20H,5-10H2,1-4H3,(H,21,22)
InChIKeyDNBCKEPIJHLZDX-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.54
Rot. Bonds7

About 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide

3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide (PubChem CID 55717475) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide
PubChem CID55717475
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOC2CCCCC2C)cc(C)c1C
InChIInChI=1S/C19H30N2O4S/c1-13-7-5-6-8-17(13)25-10-9-21-19(22)16-11-14(2)15(3)18(12-16)26(23,24)20-4/h11-13,17,20H,5-10H2,1-4H3,(H,21,22)
InChIKeyDNBCKEPIJHLZDX-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide (CID 55717475) is 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCOC2CCCCC2C)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is DNBCKEPIJHLZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-13-7-5-6-8-17(13)25-10-9-21-19(22)16-11-14(2)15(3)18(12-16)26(23,24)20-4/h11-13,17,20H,5-10H2,1-4H3,(H,21,22).
What are the key properties of 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide?
3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 382.53 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55717475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).