2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid

C24H24N2O4S — CID 6622413

IUPAC2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
SMILESCOc1ccccc1CNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3
InChIInChI=1S/C24H24N2O4S/c1-30-21-9-5-2-6-16(21)13-25-24(29)15-10-11-18-20(12-15)26-19-8-4-3-7-17(19)23(18)31-14-22(27)28/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,25,29)(H,27,28)
InChIKeyXPCUOLKHEJXVRR-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.23
Rot. Bonds7

About 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid

2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid (PubChem CID 6622413) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
PubChem CID6622413
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
SMILESCOc1ccccc1CNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3
InChIInChI=1S/C24H24N2O4S/c1-30-21-9-5-2-6-16(21)13-25-24(29)15-10-11-18-20(12-15)26-19-8-4-3-7-17(19)23(18)31-14-22(27)28/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,25,29)(H,27,28)
InChIKeyXPCUOLKHEJXVRR-UHFFFAOYSA-N
XLogP4.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid (CID 6622413) is 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid is COc1ccccc1CNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3.
What is the InChIKey of 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
The InChIKey is XPCUOLKHEJXVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-30-21-9-5-2-6-16(21)13-25-24(29)15-10-11-18-20(12-15)26-19-8-4-3-7-17(19)23(18)31-14-22(27)28/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid has a molecular weight of 436.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-methoxyphenyl)methylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid is sourced from PubChem (CID 6622413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).