2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23NO4S — CID 18880642

IUPAC2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(SC)cc1
InChIInChI=1S/C23H23NO4S/c1-13-11-14(2)21-17(12-13)20(25)18-19(15-5-7-16(29-4)8-6-15)24(9-10-27-3)23(26)22(18)28-21/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyFSXRGFLFHCTRPL-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880642) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880642
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Name2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(SC)cc1
InChIInChI=1S/C23H23NO4S/c1-13-11-14(2)21-17(12-13)20(25)18-19(15-5-7-16(29-4)8-6-15)24(9-10-27-3)23(26)22(18)28-21/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyFSXRGFLFHCTRPL-UHFFFAOYSA-N
XLogP4.32
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(3-methoxypropyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880689
2-(2-methoxyethyl)-1-(4-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880621
5,7-dimethyl-1-(4-methylsulfanylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881310
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880614
5,7-dimethyl-1-(4-methylsulfanylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880890
(1S)-2-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2027820
7-fluoro-2-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4859981
2-butyl-5,7-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880766
2-butyl-1-(4-chlorophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880742
2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880534
1-(4-hexoxyphenyl)-2-(2-hydroxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880555
1-(3,4-diethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880728

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880642) is 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(SC)cc1.
What is the InChIKey of 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FSXRGFLFHCTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-13-11-14(2)21-17(12-13)20(25)18-19(15-5-7-16(29-4)8-6-15)24(9-10-27-3)23(26)22(18)28-21/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 409.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).