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

C22H20N4OS — CID 21011884

IUPACN-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc3scc(-c4ccc(C)cc4C)c23)c1
InChIInChI=1S/C22H20N4OS/c1-13-7-8-18(14(2)9-13)19-11-28-22-20(19)21(23-12-24-22)26-17-6-4-5-16(10-17)25-15(3)27/h4-12H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyJKABWVWOALIAOP-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.68
Rot. Bonds4

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

N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 21011884) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID21011884
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc3scc(-c4ccc(C)cc4C)c23)c1
InChIInChI=1S/C22H20N4OS/c1-13-7-8-18(14(2)9-13)19-11-28-22-20(19)21(23-12-24-22)26-17-6-4-5-16(10-17)25-15(3)27/h4-12H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyJKABWVWOALIAOP-UHFFFAOYSA-N
XLogP5.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011857
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
5-(2,4-dimethylphenyl)-N-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011121
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010045
methyl 4-chloro-3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21011918
4-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 28843725
2-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonylphenol
CID 21011852
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010737
5-(4-methylphenyl)-N-(3-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2391301
N-[3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 171352810
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865208
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (CID 21011884) is N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc3scc(-c4ccc(C)cc4C)c23)c1.
What is the InChIKey of N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is JKABWVWOALIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-13-7-8-18(14(2)9-13)19-11-28-22-20(19)21(23-12-24-22)26-17-6-4-5-16(10-17)25-15(3)27/h4-12H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 388.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 21011884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).