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

C23H21N3O3S — CID 7636955

IUPACN-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O
InChIInChI=1S/C23H21N3O3S/c1-3-15-6-4-5-7-18(15)25-21(27)13-26-14-24-19-12-20(30-22(19)23(26)28)16-8-10-17(29-2)11-9-16/h4-12,14H,3,13H2,1-2H3,(H,25,27)
InChIKeyYNPAIBFXMBUTNV-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.33
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 7636955) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID7636955
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O
InChIInChI=1S/C23H21N3O3S/c1-3-15-6-4-5-7-18(15)25-21(27)13-26-14-24-19-12-20(30-22(19)23(26)28)16-8-10-17(29-2)11-9-16/h4-12,14H,3,13H2,1-2H3,(H,25,27)
InChIKeyYNPAIBFXMBUTNV-UHFFFAOYSA-N
XLogP4.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
pyridin-2-ylmethyl 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 55414172
(2-oxo-2-propan-2-yloxyethyl) 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 37170753
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
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 7636710
methyl 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 17403488
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 55602689

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 7636955) is N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is CCc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is YNPAIBFXMBUTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-3-15-6-4-5-7-18(15)25-21(27)13-26-14-24-19-12-20(30-22(19)23(26)28)16-8-10-17(29-2)11-9-16/h4-12,14H,3,13H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 7636955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).