N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide

C20H25N3O4S — CID 122265752

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(c2ccco2)n2nc(C)cc2C)cc1C
InChIInChI=1S/C20H25N3O4S/c1-5-26-19-9-8-17(11-14(19)2)28(24,25)21-13-18(20-7-6-10-27-20)23-16(4)12-15(3)22-23/h6-12,18,21H,5,13H2,1-4H3
InChIKeyGZJQEVJLAZLPGS-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.37
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 122265752) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID122265752
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(c2ccco2)n2nc(C)cc2C)cc1C
InChIInChI=1S/C20H25N3O4S/c1-5-26-19-9-8-17(11-14(19)2)28(24,25)21-13-18(20-7-6-10-27-20)23-16(4)12-15(3)22-23/h6-12,18,21H,5,13H2,1-4H3
InChIKeyGZJQEVJLAZLPGS-UHFFFAOYSA-N
XLogP3.37
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide
CID 122265682
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 122265698
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxybenzamide
CID 122265531
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 122265766
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122265707
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4-dimethylbenzenesulfonamide
CID 122264793
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 18574109
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
CID 121145658
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40774940
4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 121197305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide (CID 122265752) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(c2ccco2)n2nc(C)cc2C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is GZJQEVJLAZLPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-5-26-19-9-8-17(11-14(19)2)28(24,25)21-13-18(20-7-6-10-27-20)23-16(4)12-15(3)22-23/h6-12,18,21H,5,13H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 122265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).