N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C17H17N3O2S2 — CID 46661845

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C17H17N3O2S2/c1-22-13-4-2-12(3-5-13)6-8-18-15(21)10-24-17-16-14(7-9-23-16)19-11-20-17/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,21)
InChIKeyYCPGBHGWDKKORY-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 46661845) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID46661845
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C17H17N3O2S2/c1-22-13-4-2-12(3-5-13)6-8-18-15(21)10-24-17-16-14(7-9-23-16)19-11-20-17/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,21)
InChIKeyYCPGBHGWDKKORY-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123797
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 46693282
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 43249711
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110377358
methyl 4-methyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate
CID 34247171
2-[[5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883642
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 16806754

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 46661845) is N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is COc1ccc(CCNC(=O)CSc2ncnc3ccsc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is YCPGBHGWDKKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-22-13-4-2-12(3-5-13)6-8-18-15(21)10-24-17-16-14(7-9-23-16)19-11-20-17/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 359.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 46661845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).