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

C20H20BrN3O2S — CID 40823932

IUPAC2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NC1CCCCC1
InChIInChI=1S/C20H20BrN3O2S/c21-14-8-6-13(7-9-14)16-11-27-19-18(16)20(26)24(12-22-19)10-17(25)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5,10H2,(H,23,25)
InChIKeyXOGXTCVYLRYXTJ-UHFFFAOYSA-N
MW446.37 g/mol
LogP4.34
Rot. Bonds4

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

2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide (PubChem CID 40823932) has the molecular formula C20H20BrN3O2S and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide
PubChem CID40823932
Molecular FormulaC20H20BrN3O2S
Molecular Weight446.37 g/mol
Exact Mass445.05
IUPAC Name2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NC1CCCCC1
InChIInChI=1S/C20H20BrN3O2S/c21-14-8-6-13(7-9-14)16-11-27-19-18(16)20(26)24(12-22-19)10-17(25)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5,10H2,(H,23,25)
InChIKeyXOGXTCVYLRYXTJ-UHFFFAOYSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclopropylacetamide
CID 9354159
N-cycloheptyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7875432
N-cycloheptyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4783612
N-cycloheptyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 27646902
N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824039
N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 24584696
N-(2,3-dimethylcyclohexyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 18195140
2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-cyclopentylacetamide
CID 40903594
3-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(cyclopentylcarbamoyl)propanamide
CID 25482972
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 41194119
2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 40862675
N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498399

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide (CID 40823932) is 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide is O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NC1CCCCC1.
What is the InChIKey of 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide?
The InChIKey is XOGXTCVYLRYXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2S/c21-14-8-6-13(7-9-14)16-11-27-19-18(16)20(26)24(12-22-19)10-17(25)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5,10H2,(H,23,25).
What are the key properties of 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide?
2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide has a molecular weight of 446.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 40823932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).