N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

C16H12ClN3O2S — CID 121090832

IUPACN-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-11-3-5-12(6-4-11)19-15(21)9-20-10-18-13(8-16(20)22)14-2-1-7-23-14/h1-8,10H,9H2,(H,19,21)
InChIKeyRDZNAELJMDWLMG-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.26
Rot. Bonds4

About N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (PubChem CID 121090832) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
PubChem CID121090832
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-11-3-5-12(6-4-11)19-15(21)9-20-10-18-13(8-16(20)22)14-2-1-7-23-14/h1-8,10H,9H2,(H,19,21)
InChIKeyRDZNAELJMDWLMG-UHFFFAOYSA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090808
N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide
CID 121090934
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 121063962
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetyl]amino]ethyl]benzamide
CID 121090941
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
N-(2-methylquinolin-5-yl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090936
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090879
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 30935810

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (CID 121090832) is N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is O=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is RDZNAELJMDWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-11-3-5-12(6-4-11)19-15(21)9-20-10-18-13(8-16(20)22)14-2-1-7-23-14/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 345.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121090832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).