N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide

C20H17N3O2S2 — CID 26012076

IUPACN-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(-c3cccs3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C20H17N3O2S2/c1-11-12(2)27-20-17(11)19(22-18(23-20)16-8-5-9-26-16)25-15-7-4-6-14(10-15)21-13(3)24/h4-10H,1-3H3,(H,21,24)
InChIKeyZKUPWYPTLIHKBB-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.79
Rot. Bonds4

About N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide

N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 26012076) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID26012076
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC NameN-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(-c3cccs3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C20H17N3O2S2/c1-11-12(2)27-20-17(11)19(22-18(23-20)16-8-5-9-26-16)25-15-7-4-6-14(10-15)21-13(3)24/h4-10H,1-3H3,(H,21,24)
InChIKeyZKUPWYPTLIHKBB-UHFFFAOYSA-N
XLogP5.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 9112710
N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 18081556
2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
CID 9213194
N-[3-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 46948470
methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
CID 17402660
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-acetamidobenzoate
CID 7374547
N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 18269123
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 24567416
N-(3-phthalazin-1-yloxyphenyl)acetamide
CID 6410691
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium
CID 7872960

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide (CID 26012076) is N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2nc(-c3cccs3)nc3sc(C)c(C)c23)c1.
What is the InChIKey of N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is ZKUPWYPTLIHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-11-12(2)27-20-17(11)19(22-18(23-20)16-8-5-9-26-16)25-15-7-4-6-14(10-15)21-13(3)24/h4-10H,1-3H3,(H,21,24).
What are the key properties of N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 26012076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).