3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide

C26H30N4O4S — CID 55412501

IUPAC3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCc1ccc(C2=NN(C(=O)CNc3cc(S(=O)(=O)N(C)C)cc(C)c3C)C(c3ccco3)C2)cc1
InChIInChI=1S/C26H30N4O4S/c1-17-8-10-20(11-9-17)23-15-24(25-7-6-12-34-25)30(28-23)26(31)16-27-22-14-21(13-18(2)19(22)3)35(32,33)29(4)5/h6-14,24,27H,15-16H2,1-5H3
InChIKeyOBUDOVXGPUNJKH-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.24
Rot. Bonds7

About 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide

3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide (PubChem CID 55412501) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide
PubChem CID55412501
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCc1ccc(C2=NN(C(=O)CNc3cc(S(=O)(=O)N(C)C)cc(C)c3C)C(c3ccco3)C2)cc1
InChIInChI=1S/C26H30N4O4S/c1-17-8-10-20(11-9-17)23-15-24(25-7-6-12-34-25)30(28-23)26(31)16-27-22-14-21(13-18(2)19(22)3)35(32,33)29(4)5/h6-14,24,27H,15-16H2,1-5H3
InChIKeyOBUDOVXGPUNJKH-UHFFFAOYSA-N
XLogP4.24
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide?
The IUPAC name of 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide (CID 55412501) is 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide is Cc1ccc(C2=NN(C(=O)CNc3cc(S(=O)(=O)N(C)C)cc(C)c3C)C(c3ccco3)C2)cc1.
What is the InChIKey of 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide?
The InChIKey is OBUDOVXGPUNJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-17-8-10-20(11-9-17)23-15-24(25-7-6-12-34-25)30(28-23)26(31)16-27-22-14-21(13-18(2)19(22)3)35(32,33)29(4)5/h6-14,24,27H,15-16H2,1-5H3.
What are the key properties of 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide?
3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide is sourced from PubChem (CID 55412501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).