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

C12H20N2O4S — CID 2809674

IUPACN-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C12H20N2O4S/c1-5-6-7-13-12(15)10-8-11(18-9(10)2)19(16,17)14(3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyCWRLENUZSRMPBF-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.37
Rot. Bonds6

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

N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide (PubChem CID 2809674) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
PubChem CID2809674
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C12H20N2O4S/c1-5-6-7-13-12(15)10-8-11(18-9(10)2)19(16,17)14(3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyCWRLENUZSRMPBF-UHFFFAOYSA-N
XLogP1.37
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide (CID 2809674) is N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide is CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C.
What is the InChIKey of N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
The InChIKey is CWRLENUZSRMPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-5-6-7-13-12(15)10-8-11(18-9(10)2)19(16,17)14(3)4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).