N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

C19H21N3O3S — CID 51582557

IUPACN-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O
InChIInChI=1S/C19H21N3O3S/c1-3-4-9-20-17(23)11-22-12-21-15-10-16(26-18(15)19(22)24)13-5-7-14(25-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,20,23)
InChIKeyQFPXVGDBZIFKLH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.05
Rot. Bonds7

About N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 51582557) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID51582557
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O
InChIInChI=1S/C19H21N3O3S/c1-3-4-9-20-17(23)11-22-12-21-15-10-16(26-18(15)19(22)24)13-5-7-14(25-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,20,23)
InChIKeyQFPXVGDBZIFKLH-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.05
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

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
CID 8626062
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 7636955
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
3-(3-hydroxypropyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 110892016
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
CID 7803603
6-(4-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 51582551
(2-oxo-2-propan-2-yloxyethyl) 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 37170753
pyridin-2-ylmethyl 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 55414172
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 7636710
2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8626032

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 51582557) is N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is CCCCNC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O.
What is the InChIKey of N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is QFPXVGDBZIFKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-4-9-20-17(23)11-22-12-21-15-10-16(26-18(15)19(22)24)13-5-7-14(25-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 51582557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).