N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

C24H23N3O2S — CID 4202691

IUPACN-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCCC(C)c1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-16(2)17-9-11-19(12-10-17)27-21(28)13-29-23-22-20(18-7-5-4-6-8-18)14-30-24(22)26-15-25-23/h4-12,14-16H,3,13H2,1-2H3,(H,27,28)
InChIKeyIHRAMBDHPAKPQZ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.89
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 4202691) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID4202691
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCCC(C)c1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-16(2)17-9-11-19(12-10-17)27-21(28)13-29-23-22-20(18-7-5-4-6-8-18)14-30-24(22)26-15-25-23/h4-12,14-16H,3,13H2,1-2H3,(H,27,28)
InChIKeyIHRAMBDHPAKPQZ-UHFFFAOYSA-N
XLogP5.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3344765
N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(4-nitrophenyl)acetamide
CID 3487204
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 112775965
N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide
CID 78878842
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide
CID 2080749
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483739
N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 4202691) is N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is CCC(C)c1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is IHRAMBDHPAKPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-16(2)17-9-11-19(12-10-17)27-21(28)13-29-23-22-20(18-7-5-4-6-8-18)14-30-24(22)26-15-25-23/h4-12,14-16H,3,13H2,1-2H3,(H,27,28).
What are the key properties of N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 417.53 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 4202691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).