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

C19H22N4O3S — CID 133485659

IUPACN-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)c2nc(C)nc3scc(C)c23)cc(OC)c1
InChIInChI=1S/C19H22N4O3S/c1-11-10-27-19-17(11)18(20-12(2)21-19)23(3)9-16(24)22-13-6-14(25-4)8-15(7-13)26-5/h6-8,10H,9H2,1-5H3,(H,22,24)
InChIKeyHOFZWSJNBGZHJF-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.40
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (PubChem CID 133485659) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
PubChem CID133485659
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)c2nc(C)nc3scc(C)c23)cc(OC)c1
InChIInChI=1S/C19H22N4O3S/c1-11-10-27-19-17(11)18(20-12(2)21-19)23(3)9-16(24)22-13-6-14(25-4)8-15(7-13)26-5/h6-8,10H,9H2,1-5H3,(H,22,24)
InChIKeyHOFZWSJNBGZHJF-UHFFFAOYSA-N
XLogP3.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (CID 133485659) is N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is COc1cc(NC(=O)CN(C)c2nc(C)nc3scc(C)c23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is HOFZWSJNBGZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11-10-27-19-17(11)18(20-12(2)21-19)23(3)9-16(24)22-13-6-14(25-4)8-15(7-13)26-5/h6-8,10H,9H2,1-5H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 386.48 g/mol, XLogP of 3.40, 6 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-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 133485659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).