5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide

C16H26N2O4S — CID 71974070

IUPAC5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
SMILESCCC1CCCC(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1
InChIInChI=1S/C16H26N2O4S/c1-5-12-7-6-8-13(9-12)17-16(19)14-10-15(22-11(14)2)23(20,21)18(3)4/h10,12-13H,5-9H2,1-4H3,(H,17,19)
InChIKeyKTCWJXBPFWOHKY-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.54
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide

5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide (PubChem CID 71974070) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
PubChem CID71974070
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
SMILESCCC1CCCC(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1
InChIInChI=1S/C16H26N2O4S/c1-5-12-7-6-8-13(9-12)17-16(19)14-10-15(22-11(14)2)23(20,21)18(3)4/h10,12-13H,5-9H2,1-4H3,(H,17,19)
InChIKeyKTCWJXBPFWOHKY-UHFFFAOYSA-N
XLogP2.54
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide (CID 71974070) is 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide is CCC1CCCC(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide?
The InChIKey is KTCWJXBPFWOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-12-7-6-8-13(9-12)17-16(19)14-10-15(22-11(14)2)23(20,21)18(3)4/h10,12-13H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide?
5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 71974070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).