N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide

C19H21FN2O3S — CID 45212821

IUPACN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)CN(C)C)C3)s1
InChIInChI=1S/C19H21FN2O3S/c1-11(23)16-4-5-17(26-16)15-8-13(20)6-12-7-14(25-19(12)15)9-21-18(24)10-22(2)3/h4-6,8,14H,7,9-10H2,1-3H3,(H,21,24)
InChIKeyGMTYYTWVWBWVSY-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.74
Rot. Bonds6

About N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide

N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide (PubChem CID 45212821) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide
PubChem CID45212821
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)CN(C)C)C3)s1
InChIInChI=1S/C19H21FN2O3S/c1-11(23)16-4-5-17(26-16)15-8-13(20)6-12-7-14(25-19(12)15)9-21-18(24)10-22(2)3/h4-6,8,14H,7,9-10H2,1-3H3,(H,21,24)
InChIKeyGMTYYTWVWBWVSY-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide (CID 45212821) is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide is CC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)CN(C)C)C3)s1.
What is the InChIKey of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide?
The InChIKey is GMTYYTWVWBWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-11(23)16-4-5-17(26-16)15-8-13(20)6-12-7-14(25-19(12)15)9-21-18(24)10-22(2)3/h4-6,8,14H,7,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide?
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide has a molecular weight of 376.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 45212821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).