2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C19H21N3O5S2 — CID 34646802

IUPAC2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CSc2nc3sccc3c(=O)n2C)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5S2/c1-22-18(24)12-5-6-28-17(12)21-19(22)29-10-15(23)20-9-11-7-13(25-2)16(27-4)14(8-11)26-3/h5-8H,9-10H2,1-4H3,(H,20,23)
InChIKeyWKPHGIXWMJKKGX-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.43
Rot. Bonds8

About 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 34646802) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID34646802
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC Name2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CSc2nc3sccc3c(=O)n2C)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5S2/c1-22-18(24)12-5-6-28-17(12)21-19(22)29-10-15(23)20-9-11-7-13(25-2)16(27-4)14(8-11)26-3/h5-8H,9-10H2,1-4H3,(H,20,23)
InChIKeyWKPHGIXWMJKKGX-UHFFFAOYSA-N
XLogP2.43
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646786
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 51215600
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 46793377
2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 32795620
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 39803644
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35772750
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27971803
N-(4-bromophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772686
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30173583
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31188837

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 34646802) is 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CSc2nc3sccc3c(=O)n2C)cc(OC)c1OC.
What is the InChIKey of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is WKPHGIXWMJKKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-22-18(24)12-5-6-28-17(12)21-19(22)29-10-15(23)20-9-11-7-13(25-2)16(27-4)14(8-11)26-3/h5-8H,9-10H2,1-4H3,(H,20,23).
What are the key properties of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34646802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).