5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide

C23H20N2O4S — CID 126463924

IUPAC5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2Cc3cccc(-c4ccc(C(N)=O)cc4)c3O2)cs1
InChIInChI=1S/C23H20N2O4S/c1-13(26)20-10-17(12-30-20)23(28)25-11-18-9-16-3-2-4-19(21(16)29-18)14-5-7-15(8-6-14)22(24)27/h2-8,10,12,18H,9,11H2,1H3,(H2,24,27)(H,25,28)
InChIKeyRMENMLTZWXGLEK-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.45
Rot. Bonds6

About 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide

5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 126463924) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
PubChem CID126463924
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2Cc3cccc(-c4ccc(C(N)=O)cc4)c3O2)cs1
InChIInChI=1S/C23H20N2O4S/c1-13(26)20-10-17(12-30-20)23(28)25-11-18-9-16-3-2-4-19(21(16)29-18)14-5-7-15(8-6-14)22(24)27/h2-8,10,12,18H,9,11H2,1H3,(H2,24,27)(H,25,28)
InChIKeyRMENMLTZWXGLEK-UHFFFAOYSA-N
XLogP3.45
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide
CID 45195210
N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42246567
5-acetyl-N-[[(2S)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 42397800
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
CID 56702059
4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 45230085
5-acetyl-N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 42370997
methyl 3-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamoyl]benzoate
CID 45234496
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42398905
3-(3-methylphenyl)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42246342
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
CID 45175739
5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide (CID 126463924) is 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NCC2Cc3cccc(-c4ccc(C(N)=O)cc4)c3O2)cs1.
What is the InChIKey of 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is RMENMLTZWXGLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-13(26)20-10-17(12-30-20)23(28)25-11-18-9-16-3-2-4-19(21(16)29-18)14-5-7-15(8-6-14)22(24)27/h2-8,10,12,18H,9,11H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide?
5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[7-(4-carbamoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 126463924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).