N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

C23H23N3O5S — CID 71617915

IUPACN-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=CC(c3ccc(OC)cc3)N(C(=O)c3ccco3)N2)cc1
InChIInChI=1S/C23H23N3O5S/c1-3-32(28,29)25-18-10-6-16(7-11-18)20-15-21(17-8-12-19(30-2)13-9-17)26(24-20)23(27)22-5-4-14-31-22/h4-15,21,24-25H,3H2,1-2H3
InChIKeyNWMSCHURUWAHSH-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.79
Rot. Bonds7

About N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (PubChem CID 71617915) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
PubChem CID71617915
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=CC(c3ccc(OC)cc3)N(C(=O)c3ccco3)N2)cc1
InChIInChI=1S/C23H23N3O5S/c1-3-32(28,29)25-18-10-6-16(7-11-18)20-15-21(17-8-12-19(30-2)13-9-17)26(24-20)23(27)22-5-4-14-31-22/h4-15,21,24-25H,3H2,1-2H3
InChIKeyNWMSCHURUWAHSH-UHFFFAOYSA-N
XLogP3.79
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3R)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 27280825
N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71618619
N-[4-[2-acetyl-3-(2-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71617848
2-chloro-1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone
CID 2405159
[(3S)-5-(4-methoxyphenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-(4-nitrophenyl)methanone
CID 2335521
N-[3-[(3S)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049176
N-[4-[2-(furan-2-carbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 18553560
[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 4-fluorobenzoate
CID 2352034
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
CID 2529292
N-[4-(furan-2-carbonyl)phenyl]propane-1-sulfonamide
CID 43463156
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
CID 113014461

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (CID 71617915) is N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2=CC(c3ccc(OC)cc3)N(C(=O)c3ccco3)N2)cc1.
What is the InChIKey of N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The InChIKey is NWMSCHURUWAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-3-32(28,29)25-18-10-6-16(7-11-18)20-15-21(17-8-12-19(30-2)13-9-17)26(24-20)23(27)22-5-4-14-31-22/h4-15,21,24-25H,3H2,1-2H3.
What are the key properties of N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 71617915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).