(2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one

C23H22N4O3S — CID 99792192

IUPAC(2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one
SMILESCN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-25-21(28)14-26(23(25)16-7-3-2-4-8-16)15-22(29)27-18(20-10-6-12-31-20)13-17(24-27)19-9-5-11-30-19/h2-12,18,23H,13-15H2,1H3/t18-,23+/m0/s1
InChIKeyXZUDKYYJSBSKGJ-FDDCHVKYSA-N
MW434.52 g/mol
LogP3.49
Rot. Bonds5

About (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one

(2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one (PubChem CID 99792192) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one
PubChem CID99792192
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name(2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one
SMILESCN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-25-21(28)14-26(23(25)16-7-3-2-4-8-16)15-22(29)27-18(20-10-6-12-31-20)13-17(24-27)19-9-5-11-30-19/h2-12,18,23H,13-15H2,1H3/t18-,23+/m0/s1
InChIKeyXZUDKYYJSBSKGJ-FDDCHVKYSA-N
XLogP3.49
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one with MolForge

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Related Compounds

2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4961662
2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55381636
2-(2,6-dimethylanilino)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 119032207
2-[benzyl(propan-2-yl)amino]-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 46677516
2-[2-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39907865
2-(4-chlorophenyl)sulfanyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 46805616
4-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
CID 936646
1-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41170244
1-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 55546608
1-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanone
CID 41183357
1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone
CID 86959427
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 55355802

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one?
The IUPAC name of (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one (CID 99792192) is (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one?
The canonical SMILES for (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one is CN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one?
The InChIKey is XZUDKYYJSBSKGJ-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-25-21(28)14-26(23(25)16-7-3-2-4-8-16)15-22(29)27-18(20-10-6-12-31-20)13-17(24-27)19-9-5-11-30-19/h2-12,18,23H,13-15H2,1H3/t18-,23+/m0/s1.
What are the key properties of (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one?
(2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one has a molecular weight of 434.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 99792192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).