N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C20H20N4O2S — CID 46963557

IUPACN-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCn1c(C)cc2cc(NC(=O)Cn3cnc4sc(C)cc4c3=O)ccc21
InChIInChI=1S/C20H20N4O2S/c1-4-24-12(2)7-14-9-15(5-6-17(14)24)22-18(25)10-23-11-21-19-16(20(23)26)8-13(3)27-19/h5-9,11H,4,10H2,1-3H3,(H,22,25)
InChIKeyCFYPZCXTZNFHRS-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.69
Rot. Bonds4

About N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 46963557) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID46963557
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCn1c(C)cc2cc(NC(=O)Cn3cnc4sc(C)cc4c3=O)ccc21
InChIInChI=1S/C20H20N4O2S/c1-4-24-12(2)7-14-9-15(5-6-17(14)24)22-18(25)10-23-11-21-19-16(20(23)26)8-13(3)27-19/h5-9,11H,4,10H2,1-3H3,(H,22,25)
InChIKeyCFYPZCXTZNFHRS-UHFFFAOYSA-N
XLogP3.69
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4112311
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164915
3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38979915
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 20970736
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 46963557) is N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCn1c(C)cc2cc(NC(=O)Cn3cnc4sc(C)cc4c3=O)ccc21.
What is the InChIKey of N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is CFYPZCXTZNFHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-4-24-12(2)7-14-9-15(5-6-17(14)24)22-18(25)10-23-11-21-19-16(20(23)26)8-13(3)27-19/h5-9,11H,4,10H2,1-3H3,(H,22,25).
What are the key properties of N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 46963557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).