N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide

C19H16ClN3O2S — CID 42212484

IUPACN-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1
InChIInChI=1S/C19H16ClN3O2S/c20-14-7-13-8-15(10-23-17(24)6-12-2-5-26-11-12)25-18(13)16(9-14)19-21-3-1-4-22-19/h1-5,7,9,11,15H,6,8,10H2,(H,23,24)/t15-/m0/s1
InChIKeyOVDIPCKJPNHTRX-HNNXBMFYSA-N
MW385.88 g/mol
LogP3.52
Rot. Bonds5

About N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide

N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42212484) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42212484
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1
InChIInChI=1S/C19H16ClN3O2S/c20-14-7-13-8-15(10-23-17(24)6-12-2-5-26-11-12)25-18(13)16(9-14)19-21-3-1-4-22-19/h1-5,7,9,11,15H,6,8,10H2,(H,23,24)/t15-/m0/s1
InChIKeyOVDIPCKJPNHTRX-HNNXBMFYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 42212992
N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 25465217
(2S)-N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxypropanamide
CID 42324103
(2R)-N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxypropanamide
CID 42324095
N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 42325125
N-[[(2R)-7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 26277920
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42407990
2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42171221
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 125158691
methyl 4-[(2S)-5-chloro-2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate
CID 42190030
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 45171979

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide (CID 42212484) is N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1.
What is the InChIKey of N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is OVDIPCKJPNHTRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-14-7-13-8-15(10-23-17(24)6-12-2-5-26-11-12)25-18(13)16(9-14)19-21-3-1-4-22-19/h1-5,7,9,11,15H,6,8,10H2,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 385.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42212484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).