2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide

C19H20ClN3O2S — CID 8626062

IUPAC2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
InChIInChI=1S/C19H20ClN3O2S/c1-2-3-4-9-21-17(24)11-23-12-22-15-10-16(26-18(15)19(23)25)13-5-7-14(20)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,21,24)
InChIKeyGXZZAMKZYNVSOH-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.08
Rot. Bonds7

About 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide (PubChem CID 8626062) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
PubChem CID8626062
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
InChIInChI=1S/C19H20ClN3O2S/c1-2-3-4-9-21-17(24)11-23-12-22-15-10-16(26-18(15)19(23)25)13-5-7-14(20)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,21,24)
InChIKeyGXZZAMKZYNVSOH-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
CID 7803603
2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8626032
methyl 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 17403488
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7803606
N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
CID 67360653
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629730
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
6-(4-chlorophenyl)-3-[2-[4-(methylaminomethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 59239866
N-butyl-2-(4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)acetamide
CID 95920755

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide (CID 8626062) is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide is CCCCCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O.
What is the InChIKey of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide?
The InChIKey is GXZZAMKZYNVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-2-3-4-9-21-17(24)11-23-12-22-15-10-16(26-18(15)19(23)25)13-5-7-14(20)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,21,24).
What are the key properties of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide?
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide has a molecular weight of 389.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide is sourced from PubChem (CID 8626062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).