5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide

C9H13NO4S — CID 71974840

IUPAC5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)S(C)(=O)=O)o1
InChIInChI=1S/C9H13NO4S/c1-4-7-5-6-8(14-7)9(11)10(2)15(3,12)13/h5-6H,4H2,1-3H3
InChIKeyKUTCIDIZLKRSAK-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.87
Rot. Bonds3

About 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide

5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide (PubChem CID 71974840) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
PubChem CID71974840
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)S(C)(=O)=O)o1
InChIInChI=1S/C9H13NO4S/c1-4-7-5-6-8(14-7)9(11)10(2)15(3,12)13/h5-6H,4H2,1-3H3
InChIKeyKUTCIDIZLKRSAK-UHFFFAOYSA-N
XLogP0.87
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 52850973
1-(5-ethylfuran-2-yl)-3-methylsulfonylpropan-1-one
CID 114969554
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide (CID 71974840) is 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide is CCc1ccc(C(=O)N(C)S(C)(=O)=O)o1.
What is the InChIKey of 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide?
The InChIKey is KUTCIDIZLKRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-4-7-5-6-8(14-7)9(11)10(2)15(3,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide?
5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide has a molecular weight of 231.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 71974840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).