N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

C19H22N4O3S — CID 133337570

IUPACN-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCCc1cc2c(N(C)CC(=O)Nc3cc(OC)cc(OC)c3)ncnc2s1
InChIInChI=1S/C19H22N4O3S/c1-5-15-9-16-18(20-11-21-19(16)27-15)23(2)10-17(24)22-12-6-13(25-3)8-14(7-12)26-4/h6-9,11H,5,10H2,1-4H3,(H,22,24)
InChIKeyQJERANKRMUWRRY-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.35
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (PubChem CID 133337570) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
PubChem CID133337570
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCCc1cc2c(N(C)CC(=O)Nc3cc(OC)cc(OC)c3)ncnc2s1
InChIInChI=1S/C19H22N4O3S/c1-5-15-9-16-18(20-11-21-19(16)27-15)23(2)10-17(24)22-12-6-13(25-3)8-14(7-12)26-4/h6-9,11H,5,10H2,1-4H3,(H,22,24)
InChIKeyQJERANKRMUWRRY-UHFFFAOYSA-N
XLogP3.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918086
2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133407503
N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
CID 166382736
N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 133485659
N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107206962
6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 46362735
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 46362708
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 133408809
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (CID 133337570) is N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is CCc1cc2c(N(C)CC(=O)Nc3cc(OC)cc(OC)c3)ncnc2s1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is QJERANKRMUWRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-5-15-9-16-18(20-11-21-19(16)27-15)23(2)10-17(24)22-12-6-13(25-3)8-14(7-12)26-4/h6-9,11H,5,10H2,1-4H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 386.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 133337570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).