N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide

C25H22FNO3S — CID 29085476

IUPACN-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC[C@H]1Cc2c(F)ccc(-c3ccc(C(=O)C4CC4)cc3)c2O1
InChIInChI=1S/C25H22FNO3S/c26-22-10-9-20(15-3-5-16(6-4-15)24(29)17-7-8-17)25-21(22)12-18(30-25)14-27-23(28)13-19-2-1-11-31-19/h1-6,9-11,17-18H,7-8,12-14H2,(H,27,28)/t18-/m1/s1
InChIKeyRMNCRLBXXBZTJF-GOSISDBHSA-N
MW435.52 g/mol
LogP4.81
Rot. Bonds7

About N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide

N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 29085476) has the molecular formula C25H22FNO3S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID29085476
Molecular FormulaC25H22FNO3S
Molecular Weight435.52 g/mol
Exact Mass435.13
IUPAC NameN-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC[C@H]1Cc2c(F)ccc(-c3ccc(C(=O)C4CC4)cc3)c2O1
InChIInChI=1S/C25H22FNO3S/c26-22-10-9-20(15-3-5-16(6-4-15)24(29)17-7-8-17)25-21(22)12-18(30-25)14-27-23(28)13-19-2-1-11-31-19/h1-6,9-11,17-18H,7-8,12-14H2,(H,27,28)/t18-/m1/s1
InChIKeyRMNCRLBXXBZTJF-GOSISDBHSA-N
XLogP4.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)-N-[[(2R)-4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26338519
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 45243143
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110320957
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110328025
1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone
CID 146006710
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
CID 3327073
N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dimethylbenzamide
CID 42340372
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide (CID 29085476) is N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC[C@H]1Cc2c(F)ccc(-c3ccc(C(=O)C4CC4)cc3)c2O1.
What is the InChIKey of N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is RMNCRLBXXBZTJF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22FNO3S/c26-22-10-9-20(15-3-5-16(6-4-15)24(29)17-7-8-17)25-21(22)12-18(30-25)14-27-23(28)13-19-2-1-11-31-19/h1-6,9-11,17-18H,7-8,12-14H2,(H,27,28)/t18-/m1/s1.
What are the key properties of N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 435.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 29085476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).