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

C19H18FNO3S — CID 42371570

IUPACN-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2CC2)C3)s1
InChIInChI=1S/C19H18FNO3S/c1-10(22)16-4-5-17(25-16)15-8-13(20)6-12-7-14(24-18(12)15)9-21-19(23)11-2-3-11/h4-6,8,11,14H,2-3,7,9H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyOYYNVMDQGVSFRC-AWEZNQCLSA-N
MW359.42 g/mol
LogP3.59
Rot. Bonds5

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

N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 42371570) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide
PubChem CID42371570
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC NameN-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2CC2)C3)s1
InChIInChI=1S/C19H18FNO3S/c1-10(22)16-4-5-17(25-16)15-8-13(20)6-12-7-14(24-18(12)15)9-21-19(23)11-2-3-11/h4-6,8,11,14H,2-3,7,9H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyOYYNVMDQGVSFRC-AWEZNQCLSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
CID 45205713
(2R)-N-[[(2R)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26344560
3-acetamido-N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42370137
N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 42498599
N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 42370862
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 126463399
N-[[(2R)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 26348837
N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42247606
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
CID 45174488
1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone
CID 90196165
(1R,2S,4R)-N-[[(2S)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42164147

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide (CID 42371570) is N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide is CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2CC2)C3)s1.
What is the InChIKey of N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is OYYNVMDQGVSFRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-10(22)16-4-5-17(25-16)15-8-13(20)6-12-7-14(24-18(12)15)9-21-19(23)11-2-3-11/h4-6,8,11,14H,2-3,7,9H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 359.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 42371570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).