N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

C28H23BrN4O2S — CID 23410034

IUPACN-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCc1sc2ncn(CC(=O)Nc3ccc(Nc4ccccc4)cc3)c(=O)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C28H23BrN4O2S/c1-2-23-25(18-8-10-19(29)11-9-18)26-27(36-23)30-17-33(28(26)35)16-24(34)32-22-14-12-21(13-15-22)31-20-6-4-3-5-7-20/h3-15,17,31H,2,16H2,1H3,(H,32,34)
InChIKeyOFVZNWQKGBMETK-UHFFFAOYSA-N
MW559.49 g/mol
LogP6.83
Rot. Bonds7

About N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 23410034) has the molecular formula C28H23BrN4O2S and a molecular weight of 559.49 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID23410034
Molecular FormulaC28H23BrN4O2S
Molecular Weight559.49 g/mol
Exact Mass558.07
IUPAC NameN-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCc1sc2ncn(CC(=O)Nc3ccc(Nc4ccccc4)cc3)c(=O)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C28H23BrN4O2S/c1-2-23-25(18-8-10-19(29)11-9-18)26-27(36-23)30-17-33(28(26)35)16-24(34)32-22-14-12-21(13-15-22)31-20-6-4-3-5-7-20/h3-15,17,31H,2,16H2,1H3,(H,32,34)
InChIKeyOFVZNWQKGBMETK-UHFFFAOYSA-N
XLogP6.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.49
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-nitrophenyl)acetamide
CID 23409566
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylphenyl)acetamide
CID 23409364
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-nitrophenyl)acetamide
CID 23410152
N-(4-bromophenyl)-2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 44636416
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 23409468
N'-acetyl-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetohydrazide
CID 23410252
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 28528240
2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 40824481
2-[[2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 23410526
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-butan-2-ylacetamide
CID 23410685
2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-butylacetamide
CID 23410646
N-(4-bromophenyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27540162

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (CID 23410034) is N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is CCc1sc2ncn(CC(=O)Nc3ccc(Nc4ccccc4)cc3)c(=O)c2c1-c1ccc(Br)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is OFVZNWQKGBMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN4O2S/c1-2-23-25(18-8-10-19(29)11-9-18)26-27(36-23)30-17-33(28(26)35)16-24(34)32-22-14-12-21(13-15-22)31-20-6-4-3-5-7-20/h3-15,17,31H,2,16H2,1H3,(H,32,34).
What are the key properties of N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 559.49 g/mol, XLogP of 6.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 23410034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).