N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

C20H13BrFN3O2S — CID 40824039

IUPACN-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H13BrFN3O2S/c21-13-3-7-15(8-4-13)24-17(26)9-25-11-23-19-18(20(25)27)16(10-28-19)12-1-5-14(22)6-2-12/h1-8,10-11H,9H2,(H,24,26)
InChIKeyNCBZDHTTZJAPTD-UHFFFAOYSA-N
MW458.31 g/mol
LogP4.67
Rot. Bonds4

About N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 40824039) has the molecular formula C20H13BrFN3O2S and a molecular weight of 458.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID40824039
Molecular FormulaC20H13BrFN3O2S
Molecular Weight458.31 g/mol
Exact Mass456.99
IUPAC NameN-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H13BrFN3O2S/c21-13-3-7-15(8-4-13)24-17(26)9-25-11-23-19-18(20(25)27)16(10-28-19)12-1-5-14(22)6-2-12/h1-8,10-11H,9H2,(H,24,26)
InChIKeyNCBZDHTTZJAPTD-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 30762194
N-(2-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913818
N-(4-bromophenyl)-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499007
N-(3-chloro-4-methylphenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 29110315
2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 40862675
butyl 4-[[2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 44640327
N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 18195144
N-(4-bromophenyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 25489074
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylpropyl)acetamide
CID 7732058
2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclopropylacetamide
CID 9354159
N-(3-fluoro-4-methylphenyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7629207
N-[2,6-di(propan-2-yl)phenyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 26675629

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (CID 40824039) is N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is NCBZDHTTZJAPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3O2S/c21-13-3-7-15(8-4-13)24-17(26)9-25-11-23-19-18(20(25)27)16(10-28-19)12-1-5-14(22)6-2-12/h1-8,10-11H,9H2,(H,24,26).
What are the key properties of N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 458.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 40824039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).