3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C15H20N2O3S — CID 61426284

IUPAC3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2ccoc2C)cc1N
InChIInChI=1S/C15H20N2O3S/c1-4-12-5-6-14(9-15(12)16)21(18,19)17(3)10-13-7-8-20-11(13)2/h5-9H,4,10,16H2,1-3H3
InChIKeyTUZCDTFXJSQZMK-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 61426284) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID61426284
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2ccoc2C)cc1N
InChIInChI=1S/C15H20N2O3S/c1-4-12-5-6-14(9-15(12)16)21(18,19)17(3)10-13-7-8-20-11(13)2/h5-9H,4,10,16H2,1-3H3
InChIKeyTUZCDTFXJSQZMK-UHFFFAOYSA-N
XLogP2.55
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.55
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

4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 81441145
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
methyl 2-[(3-amino-4-ethylphenyl)sulfonyl-methylamino]acetate
CID 43258543
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376
3-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 107343380

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 61426284) is 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)Cc2ccoc2C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is TUZCDTFXJSQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-12-5-6-14(9-15(12)16)21(18,19)17(3)10-13-7-8-20-11(13)2/h5-9H,4,10,16H2,1-3H3.
What are the key properties of 3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.55, 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-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61426284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).