5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

C14H16N2O4S — CID 1244179

IUPAC5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C14H16N2O4S/c1-10-2-7-13(20-10)14(17)16-9-8-11-3-5-12(6-4-11)21(15,18)19/h2-7H,8-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyLLSYHXHTDZLVOQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.21
Rot. Bonds5

About 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (PubChem CID 1244179) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
PubChem CID1244179
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C14H16N2O4S/c1-10-2-7-13(20-10)14(17)16-9-8-11-3-5-12(6-4-11)21(15,18)19/h2-7H,8-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyLLSYHXHTDZLVOQ-UHFFFAOYSA-N
XLogP1.21
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (CID 1244179) is 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is LLSYHXHTDZLVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-2-7-13(20-10)14(17)16-9-8-11-3-5-12(6-4-11)21(15,18)19/h2-7H,8-9H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 1244179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).