N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

C20H17N5O3S — CID 121063780

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc4nsnc34)cn2)cc1
InChIInChI=1S/C20H17N5O3S/c1-2-28-14-8-6-13(7-9-14)17-10-19(27)25(12-21-17)11-18(26)22-15-4-3-5-16-20(15)24-29-23-16/h3-10,12H,2,11H2,1H3,(H,22,26)
InChIKeyXZZZGTJPRHMBMB-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.95
Rot. Bonds6

About N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063780) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121063780
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc4nsnc34)cn2)cc1
InChIInChI=1S/C20H17N5O3S/c1-2-28-14-8-6-13(7-9-14)17-10-19(27)25(12-21-17)11-18(26)22-15-4-3-5-16-20(15)24-29-23-16/h3-10,12H,2,11H2,1H3,(H,22,26)
InChIKeyXZZZGTJPRHMBMB-UHFFFAOYSA-N
XLogP2.95
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121063835
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 121063799
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670832
ethyl 2-[[2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 30935895
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063780) is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc4nsnc34)cn2)cc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is XZZZGTJPRHMBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-2-28-14-8-6-13(7-9-14)17-10-19(27)25(12-21-17)11-18(26)22-15-4-3-5-16-20(15)24-29-23-16/h3-10,12H,2,11H2,1H3,(H,22,26).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 407.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).