N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide

C14H16N2O4S — CID 6465641

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-13(8-9-20-10)14(17)15-11-4-6-12(7-5-11)21(18,19)16(2)3/h4-9H,1-3H3,(H,15,17)
InChIKeyCQPXNIYLWXKLOC-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 6465641) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID6465641
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-13(8-9-20-10)14(17)15-11-4-6-12(7-5-11)21(18,19)16(2)3/h4-9H,1-3H3,(H,15,17)
InChIKeyCQPXNIYLWXKLOC-UHFFFAOYSA-N
XLogP2.09
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide (CID 6465641) is N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is CQPXNIYLWXKLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-13(8-9-20-10)14(17)15-11-4-6-12(7-5-11)21(18,19)16(2)3/h4-9H,1-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6465641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).