3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

C14H18N2O3S — CID 43526678

IUPAC3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1N
InChIInChI=1S/C14H18N2O3S/c1-3-11-6-7-13(9-14(11)15)20(17,18)16(2)10-12-5-4-8-19-12/h4-9H,3,10,15H2,1-2H3
InChIKeyACUJBPDXOFBWDE-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.24
Rot. Bonds5

About 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 43526678) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID43526678
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1N
InChIInChI=1S/C14H18N2O3S/c1-3-11-6-7-13(9-14(11)15)20(17,18)16(2)10-12-5-4-8-19-12/h4-9H,3,10,15H2,1-2H3
InChIKeyACUJBPDXOFBWDE-UHFFFAOYSA-N
XLogP2.24
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164
3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257148
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
CID 100686080

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 43526678) is 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is ACUJBPDXOFBWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-11-6-7-13(9-14(11)15)20(17,18)16(2)10-12-5-4-8-19-12/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43526678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).