[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C25H26N2O4S — CID 46645110

IUPAC[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(=O)NCc1ccc(C(=O)C(C)OC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)s1
InChIInChI=1S/C25H26N2O4S/c1-14-8-10-21-19(12-14)23(18-6-4-5-7-20(18)27-21)25(30)31-15(2)24(29)22-11-9-17(32-22)13-26-16(3)28/h8-12,15H,4-7,13H2,1-3H3,(H,26,28)
InChIKeyQEWJNEGZUBTVPG-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.55
Rot. Bonds6

About [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 46645110) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID46645110
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(=O)NCc1ccc(C(=O)C(C)OC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)s1
InChIInChI=1S/C25H26N2O4S/c1-14-8-10-21-19(12-14)23(18-6-4-5-7-20(18)27-21)25(30)31-15(2)24(29)22-11-9-17(32-22)13-26-16(3)28/h8-12,15H,4-7,13H2,1-3H3,(H,26,28)
InChIKeyQEWJNEGZUBTVPG-UHFFFAOYSA-N
XLogP4.55
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 46644557
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 43015024
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 46692520
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46528767
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 46644670
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7223517
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46795426
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 40764253

Frequently Asked Questions

What is the IUPAC name of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 46645110) is [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(=O)NCc1ccc(C(=O)C(C)OC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)s1.
What is the InChIKey of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is QEWJNEGZUBTVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-14-8-10-21-19(12-14)23(18-6-4-5-7-20(18)27-21)25(30)31-15(2)24(29)22-11-9-17(32-22)13-26-16(3)28/h8-12,15H,4-7,13H2,1-3H3,(H,26,28).
What are the key properties of [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 450.56 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 46645110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).