4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine

C22H20N4O3S3 — CID 17436307

IUPAC4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
SMILESCc1ccc(-c2csc3ncnc(Sc4ccc(S(=O)(=O)N5CCOCC5)cn4)c23)cc1
InChIInChI=1S/C22H20N4O3S3/c1-15-2-4-16(5-3-15)18-13-30-21-20(18)22(25-14-24-21)31-19-7-6-17(12-23-19)32(27,28)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3
InChIKeyREAJZVCPRQYYHX-UHFFFAOYSA-N
MW484.63 g/mol
LogP4.23
Rot. Bonds5

About 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine

4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine (PubChem CID 17436307) has the molecular formula C22H20N4O3S3 and a molecular weight of 484.63 g/mol. Its IUPAC name is 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
PubChem CID17436307
Molecular FormulaC22H20N4O3S3
Molecular Weight484.63 g/mol
Exact Mass484.07
IUPAC Name4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
SMILESCc1ccc(-c2csc3ncnc(Sc4ccc(S(=O)(=O)N5CCOCC5)cn4)c23)cc1
InChIInChI=1S/C22H20N4O3S3/c1-15-2-4-16(5-3-15)18-13-30-21-20(18)22(25-14-24-21)31-19-7-6-17(12-23-19)32(27,28)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3
InChIKeyREAJZVCPRQYYHX-UHFFFAOYSA-N
XLogP4.23
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505372
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 725229
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 16553198
(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one
CID 7569970
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 1323094
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 3189798
N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17429620

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine (CID 17436307) is 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine is Cc1ccc(-c2csc3ncnc(Sc4ccc(S(=O)(=O)N5CCOCC5)cn4)c23)cc1.
What is the InChIKey of 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is REAJZVCPRQYYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S3/c1-15-2-4-16(5-3-15)18-13-30-21-20(18)22(25-14-24-21)31-19-7-6-17(12-23-19)32(27,28)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 484.63 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 17436307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).