(1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO4S — CID 2215522

IUPAC(1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(SC)cc2)cc1
InChIInChI=1S/C28H25NO4S/c1-16-13-22-23(14-17(16)2)33-27-24(26(22)30)25(19-7-11-21(34-4)12-8-19)29(28(27)31)15-18-5-9-20(32-3)10-6-18/h5-14,25H,15H2,1-4H3/t25-/m1/s1
InChIKeyPMCCUEJOOSJFNS-RUZDIDTESA-N
MW471.58 g/mol
LogP5.89
Rot. Bonds5

About (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2215522) has the molecular formula C28H25NO4S and a molecular weight of 471.58 g/mol. Its IUPAC name is (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2215522
Molecular FormulaC28H25NO4S
Molecular Weight471.58 g/mol
Exact Mass471.15
IUPAC Name(1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(SC)cc2)cc1
InChIInChI=1S/C28H25NO4S/c1-16-13-22-23(14-17(16)2)33-27-24(26(22)30)25(19-7-11-21(34-4)12-8-19)29(28(27)31)15-18-5-9-20(32-3)10-6-18/h5-14,25H,15H2,1-4H3/t25-/m1/s1
InChIKeyPMCCUEJOOSJFNS-RUZDIDTESA-N
XLogP5.89
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810764
(1R)-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212775
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810846
1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810842
7-chloro-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882688
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809849
2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035612
1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809758
(1S)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2214700
7-chloro-2-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882705
6,7-dimethyl-1-(4-methylsulfanylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706814
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810927

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2215522) is (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(SC)cc2)cc1.
What is the InChIKey of (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PMCCUEJOOSJFNS-RUZDIDTESA-N. The full InChI is InChI=1S/C28H25NO4S/c1-16-13-22-23(14-17(16)2)33-27-24(26(22)30)25(19-7-11-21(34-4)12-8-19)29(28(27)31)15-18-5-9-20(32-3)10-6-18/h5-14,25H,15H2,1-4H3/t25-/m1/s1.
What are the key properties of (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 471.58 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2215522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).