4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide

C19H20N2O4S — CID 121197305

IUPAC4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1C
InChIInChI=1S/C19H20N2O4S/c1-3-24-18-7-6-17(9-14(18)2)26(22,23)21-12-15-10-16(13-20-11-15)19-5-4-8-25-19/h4-11,13,21H,3,12H2,1-2H3
InChIKeyQILILKAYLKGFJY-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.53
Rot. Bonds7

About 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide

4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide (PubChem CID 121197305) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
PubChem CID121197305
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1C
InChIInChI=1S/C19H20N2O4S/c1-3-24-18-7-6-17(9-14(18)2)26(22,23)21-12-15-10-16(13-20-11-15)19-5-4-8-25-19/h4-11,13,21H,3,12H2,1-2H3
InChIKeyQILILKAYLKGFJY-UHFFFAOYSA-N
XLogP3.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121022709
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 121197322
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121197304
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 121197266
4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121197330
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 91625585
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 122265752

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide (CID 121197305) is 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1C.
What is the InChIKey of 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is QILILKAYLKGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-24-18-7-6-17(9-14(18)2)26(22,23)21-12-15-10-16(13-20-11-15)19-5-4-8-25-19/h4-11,13,21H,3,12H2,1-2H3.
What are the key properties of 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide?
4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 121197305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).