1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone

C23H24N4O4S2 — CID 42916769

IUPAC1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C23H24N4O4S2/c28-23(16-24-17-6-3-7-18(14-17)33(29,30)26-10-1-2-11-26)27-20(21-8-4-12-31-21)15-19(25-27)22-9-5-13-32-22/h3-9,12-14,20,24H,1-2,10-11,15-16H2
InChIKeyXCKBXMCCXDMRFH-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.92
Rot. Bonds7

About 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone

1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone (PubChem CID 42916769) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
PubChem CID42916769
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C23H24N4O4S2/c28-23(16-24-17-6-3-7-18(14-17)33(29,30)26-10-1-2-11-26)27-20(21-8-4-12-31-21)15-19(25-27)22-9-5-13-32-22/h3-9,12-14,20,24H,1-2,10-11,15-16H2
InChIKeyXCKBXMCCXDMRFH-UHFFFAOYSA-N
XLogP3.92
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 42209560
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 98398255
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide
CID 41236436
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
CID 78792990
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 112826191
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 167748812
N-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylcyclopropanecarboxamide
CID 93129270
2-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 46800652
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 55315409
2-(3,5-dimethylanilino)-1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 94866420
2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826679

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The IUPAC name of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone (CID 42916769) is 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone is O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The InChIKey is XCKBXMCCXDMRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c28-23(16-24-17-6-3-7-18(14-17)33(29,30)26-10-1-2-11-26)27-20(21-8-4-12-31-21)15-19(25-27)22-9-5-13-32-22/h3-9,12-14,20,24H,1-2,10-11,15-16H2.
What are the key properties of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone has a molecular weight of 484.60 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone is sourced from PubChem (CID 42916769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).