N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide

C13H16N2O5S — CID 71855594

IUPACN-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1
InChIInChI=1S/C13H16N2O5S/c1-3-15(7-10-4-5-19-8-10)13(16)11-6-12(9(2)20-11)21(14,17)18/h4-6,8H,3,7H2,1-2H3,(H2,14,17,18)
InChIKeyAQOGYGANFYKVNR-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.49
Rot. Bonds5

About N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide

N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide (PubChem CID 71855594) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide
PubChem CID71855594
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC NameN-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1
InChIInChI=1S/C13H16N2O5S/c1-3-15(7-10-4-5-19-8-10)13(16)11-6-12(9(2)20-11)21(14,17)18/h4-6,8H,3,7H2,1-2H3,(H2,14,17,18)
InChIKeyAQOGYGANFYKVNR-UHFFFAOYSA-N
XLogP1.49
TPSA106.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide (CID 71855594) is N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide is CCN(Cc1ccoc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1.
What is the InChIKey of N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
The InChIKey is AQOGYGANFYKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-3-15(7-10-4-5-19-8-10)13(16)11-6-12(9(2)20-11)21(14,17)18/h4-6,8H,3,7H2,1-2H3,(H2,14,17,18).
What are the key properties of N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide?
N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-3-ylmethyl)-5-methyl-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 71855594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).