N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide

C23H23N3O5S — CID 119053192

IUPACN-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
SMILESCCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3NS(C)(=O)=O)C2)cc1
InChIInChI=1S/C23H23N3O5S/c1-3-30-17-12-10-16(11-13-17)20-15-21(26(24-20)23(27)22-9-6-14-31-22)18-7-4-5-8-19(18)25-32(2,28)29/h4-14,21,25H,3,15H2,1-2H3
InChIKeyLIYADZMWSTTZLS-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.04
Rot. Bonds7

About N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide

N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide (PubChem CID 119053192) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
PubChem CID119053192
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
SMILESCCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3NS(C)(=O)=O)C2)cc1
InChIInChI=1S/C23H23N3O5S/c1-3-30-17-12-10-16(11-13-17)20-15-21(26(24-20)23(27)22-9-6-14-31-22)18-7-4-5-8-19(18)25-32(2,28)29/h4-14,21,25H,3,15H2,1-2H3
InChIKeyLIYADZMWSTTZLS-UHFFFAOYSA-N
XLogP4.04
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 124847686
N-[2-[(3R)-3-(3,5-dimethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663544
[(3R)-3-(4-ethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 135556951
N-[2-[2-acetyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 119053191
N-[4-[(3R)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 27280825
ethyl 2-[2-[2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 2973260
ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 7172802
N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71848033
N-[3-[(3S)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049176
[(3S)-3-(3-ethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136748592
N-[4-[2-(furan-2-carbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 18553560
furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805889

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide (CID 119053192) is N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide is CCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3NS(C)(=O)=O)C2)cc1.
What is the InChIKey of N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is LIYADZMWSTTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-3-30-17-12-10-16(11-13-17)20-15-21(26(24-20)23(27)22-9-6-14-31-22)18-7-4-5-8-19(18)25-32(2,28)29/h4-14,21,25H,3,15H2,1-2H3.
What are the key properties of N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide?
N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 119053192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).