2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide

C18H19N3O3S — CID 24630190

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCCCOCc1ccccc1
InChIInChI=1S/C18H19N3O3S/c22-16(11-21-13-20-15-7-10-25-17(15)18(21)23)19-8-4-9-24-12-14-5-2-1-3-6-14/h1-3,5-7,10,13H,4,8-9,11-12H2,(H,19,22)
InChIKeyOJGHHAALKMZLJW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.18
Rot. Bonds8

About 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 24630190) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide
PubChem CID24630190
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCCCOCc1ccccc1
InChIInChI=1S/C18H19N3O3S/c22-16(11-21-13-20-15-7-10-25-17(15)18(21)23)19-8-4-9-24-12-14-5-2-1-3-6-14/h1-3,5-7,10,13H,4,8-9,11-12H2,(H,19,22)
InChIKeyOJGHHAALKMZLJW-UHFFFAOYSA-N
XLogP2.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
CID 75466011
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 91793683
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
ethyl 2-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 17414187
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
butyl 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetate
CID 54940897
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
CID 24682595
3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
CID 62563244
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 132936276

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide (CID 24630190) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide is O=C(Cn1cnc2ccsc2c1=O)NCCCOCc1ccccc1.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is OJGHHAALKMZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(11-21-13-20-15-7-10-25-17(15)18(21)23)19-8-4-9-24-12-14-5-2-1-3-6-14/h1-3,5-7,10,13H,4,8-9,11-12H2,(H,19,22).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 24630190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).