4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide

C17H23NO5S — CID 121145658

IUPAC4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCC(OC)c2ccco2)cc1C
InChIInChI=1S/C17H23NO5S/c1-5-22-17-12(2)9-14(10-13(17)3)24(19,20)18-11-16(21-4)15-7-6-8-23-15/h6-10,16,18H,5,11H2,1-4H3
InChIKeyZQNIHQDEPNRSQC-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.96
Rot. Bonds8

About 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide

4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 121145658) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
PubChem CID121145658
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCC(OC)c2ccco2)cc1C
InChIInChI=1S/C17H23NO5S/c1-5-22-17-12(2)9-14(10-13(17)3)24(19,20)18-11-16(21-4)15-7-6-8-23-15/h6-10,16,18H,5,11H2,1-4H3
InChIKeyZQNIHQDEPNRSQC-UHFFFAOYSA-N
XLogP2.96
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
CID 121145601
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607
N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 121145620
N-[4-[[2-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121145655
2,6-difluoro-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876460
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 122265752
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 18574109
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
4-ethoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888327

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide (CID 121145658) is 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide is CCOc1c(C)cc(S(=O)(=O)NCC(OC)c2ccco2)cc1C.
What is the InChIKey of 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is ZQNIHQDEPNRSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5S/c1-5-22-17-12(2)9-14(10-13(17)3)24(19,20)18-11-16(21-4)15-7-6-8-23-15/h6-10,16,18H,5,11H2,1-4H3.
What are the key properties of 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide?
4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 121145658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).