N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide

C17H17N3O2S — CID 75476661

IUPACN-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1
InChIInChI=1S/C17H17N3O2S/c1-10-3-5-12(6-4-10)13-9-23-17-15(13)16(22)19-14(20-17)7-8-18-11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyXWJYWLFTQVRDNN-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.64
Rot. Bonds4

About N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide

N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide (PubChem CID 75476661) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide
PubChem CID75476661
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1
InChIInChI=1S/C17H17N3O2S/c1-10-3-5-12(6-4-10)13-9-23-17-15(13)16(22)19-14(20-17)7-8-18-11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyXWJYWLFTQVRDNN-UHFFFAOYSA-N
XLogP2.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868463
5-(4-methylphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017861
2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-phenylethyl)propanamide
CID 24512321
N-butyl-2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2075679
5-(3,4-dimethylphenyl)-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518493
5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868299
5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2486921
N-[2-(4-fluorophenyl)ethyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 26795947
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
2-[(4-acetylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46017900

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide (CID 75476661) is N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1.
What is the InChIKey of N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is XWJYWLFTQVRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-3-5-12(6-4-10)13-9-23-17-15(13)16(22)19-14(20-17)7-8-18-11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide?
N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 75476661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).