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

C24H19NO4S — CID 2001195

IUPAC(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C24H19NO4S/c1-14-5-10-19-18(12-14)22(26)20-21(15-6-8-17(30-2)9-7-15)25(24(27)23(20)29-19)13-16-4-3-11-28-16/h3-12,21H,13H2,1-2H3/t21-/m1/s1
InChIKeyHKBCORALGAGZQR-OAQYLSRUSA-N
MW417.49 g/mol
LogP5.16
Rot. Bonds4

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

(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2001195) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2001195
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C24H19NO4S/c1-14-5-10-19-18(12-14)22(26)20-21(15-6-8-17(30-2)9-7-15)25(24(27)23(20)29-19)13-16-4-3-11-28-16/h3-12,21H,13H2,1-2H3/t21-/m1/s1
InChIKeyHKBCORALGAGZQR-OAQYLSRUSA-N
XLogP5.16
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4223731
(1R)-1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030987
(1S)-2-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015249
(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308706
(1S)-2-(furan-2-ylmethyl)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40776039
(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010034
(1S)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000932
1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3723305
(1S)-2-[3-(dimethylamino)propyl]-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39835429
7-methyl-1-(4-methylsulfanylphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709283
7-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810722
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40870877

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2001195) is (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HKBCORALGAGZQR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-14-5-10-19-18(12-14)22(26)20-21(15-6-8-17(30-2)9-7-15)25(24(27)23(20)29-19)13-16-4-3-11-28-16/h3-12,21H,13H2,1-2H3/t21-/m1/s1.
What are the key properties of (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 417.49 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2001195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).