2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C23H21N3O3S — CID 7636682

IUPAC2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(-c2cc3ncn(CC(=O)N[C@@H](C)c4ccccc4)c(=O)c3s2)cc1
InChIInChI=1S/C23H21N3O3S/c1-15(16-6-4-3-5-7-16)25-21(27)13-26-14-24-19-12-20(30-22(19)23(26)28)17-8-10-18(29-2)11-9-17/h3-12,14-15H,13H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyRFLDGOBBSZBLLY-HNNXBMFYSA-N
MW419.51 g/mol
LogP4.01
Rot. Bonds6

About 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 7636682) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID7636682
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(-c2cc3ncn(CC(=O)N[C@@H](C)c4ccccc4)c(=O)c3s2)cc1
InChIInChI=1S/C23H21N3O3S/c1-15(16-6-4-3-5-7-16)25-21(27)13-26-14-24-19-12-20(30-22(19)23(26)28)17-8-10-18(29-2)11-9-17/h3-12,14-15H,13H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyRFLDGOBBSZBLLY-HNNXBMFYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 25479631
N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 7636955
N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
(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-(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
6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 7636696

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 7636682) is 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide is COc1ccc(-c2cc3ncn(CC(=O)N[C@@H](C)c4ccccc4)c(=O)c3s2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is RFLDGOBBSZBLLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15(16-6-4-3-5-7-16)25-21(27)13-26-14-24-19-12-20(30-22(19)23(26)28)17-8-10-18(29-2)11-9-17/h3-12,14-15H,13H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 7636682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).