2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

C22H20N4O3S2 — CID 39354642

IUPAC2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(N)c3c(-c4ccc(OC)cc4)csc3n2)cc1
InChIInChI=1S/C22H20N4O3S2/c1-28-15-7-3-13(4-8-15)17-11-30-21-19(17)20(23)25-22(26-21)31-12-18(27)24-14-5-9-16(29-2)10-6-14/h3-11H,12H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyFXUSDAHKJLMOSZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.69
Rot. Bonds7

About 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 39354642) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID39354642
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC Name2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(N)c3c(-c4ccc(OC)cc4)csc3n2)cc1
InChIInChI=1S/C22H20N4O3S2/c1-28-15-7-3-13(4-8-15)17-11-30-21-19(17)20(23)25-22(26-21)31-12-18(27)24-14-5-9-16(29-2)10-6-14/h3-11H,12H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyFXUSDAHKJLMOSZ-UHFFFAOYSA-N
XLogP4.69
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxyphenyl)-2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 1411935
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1189430
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 992632
N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 42537287
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(4-iodophenyl)-2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetamide
CID 21383152
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46572885
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55571113

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 39354642) is 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(N)c3c(-c4ccc(OC)cc4)csc3n2)cc1.
What is the InChIKey of 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is FXUSDAHKJLMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c1-28-15-7-3-13(4-8-15)17-11-30-21-19(17)20(23)25-22(26-21)31-12-18(27)24-14-5-9-16(29-2)10-6-14/h3-11H,12H2,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 39354642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).