(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one

C26H26N2O5 — CID 124529511

IUPAC(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC
InChIInChI=1S/C26H26N2O5/c1-30-22-12-10-18(14-24(22)32-3)27-20-16-21(17-8-6-5-7-9-17)28(26(20)29)19-11-13-23(31-2)25(15-19)33-4/h5-16,21,27H,1-4H3/t21-/m0/s1
InChIKeyZTIGBJUBGVOTDW-NRFANRHFSA-N
MW446.50 g/mol
LogP4.80
Rot. Bonds8

About (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one

(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 124529511) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID124529511
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC
InChIInChI=1S/C26H26N2O5/c1-30-22-12-10-18(14-24(22)32-3)27-20-16-21(17-8-6-5-7-9-17)28(26(20)29)19-11-13-23(31-2)25(15-19)33-4/h5-16,21,27H,1-4H3/t21-/m0/s1
InChIKeyZTIGBJUBGVOTDW-NRFANRHFSA-N
XLogP4.80
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2865100
4-anilino-2-(2,5-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 2879675
(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 1121145
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenoxyacetamide
CID 57283520
2-(4-butoxyphenyl)-4-(3,4-dimethylanilino)-1-(3,4-dimethylphenyl)-2H-pyrrol-5-one
CID 5184829
(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 124530066
2-(2,4-dimethoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 6618167
4-(1,3-benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 72715861
2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 4916628
4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
CID 29012168

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one (CID 124529511) is (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one is COc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC.
What is the InChIKey of (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ZTIGBJUBGVOTDW-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-30-22-12-10-18(14-24(22)32-3)27-20-16-21(17-8-6-5-7-9-17)28(26(20)29)19-11-13-23(31-2)25(15-19)33-4/h5-16,21,27H,1-4H3/t21-/m0/s1.
What are the key properties of (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 446.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 124529511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).