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

C21H17N3O3S — CID 18083982

IUPACN-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cn3cnc4sccc4c3=O)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-2-6-16(7-3-14)27-17-8-4-15(5-9-17)23-19(25)12-24-13-22-20-18(21(24)26)10-11-28-20/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyDURNOSSNRBHEGS-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.20
Rot. Bonds5

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

N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 18083982) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID18083982
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cn3cnc4sccc4c3=O)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-2-6-16(7-3-14)27-17-8-4-15(5-9-17)23-19(25)12-24-13-22-20-18(21(24)26)10-11-28-20/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyDURNOSSNRBHEGS-UHFFFAOYSA-N
XLogP4.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
2-(7-chloro-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18227093
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24594960
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 4678780
N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 155969947
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17468203

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 18083982) is N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4sccc4c3=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is DURNOSSNRBHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14-2-6-16(7-3-14)27-17-8-4-15(5-9-17)23-19(25)12-24-13-22-20-18(21(24)26)10-11-28-20/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18083982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).