3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide

C26H29N3O3S — CID 24622389

IUPAC3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C26H29N3O3S/c1-5-14-32-22-11-10-19-8-6-7-9-20(19)21(22)15-28(4)23(30)12-13-29-16-27-25-24(26(29)31)17(2)18(3)33-25/h6-11,16H,5,12-15H2,1-4H3
InChIKeyLGVOYTILZZLVJN-UHFFFAOYSA-N
MW463.60 g/mol
LogP5.07
Rot. Bonds8

About 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide (PubChem CID 24622389) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide
PubChem CID24622389
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C26H29N3O3S/c1-5-14-32-22-11-10-19-8-6-7-9-20(19)21(22)15-28(4)23(30)12-13-29-16-27-25-24(26(29)31)17(2)18(3)33-25/h6-11,16H,5,12-15H2,1-4H3
InChIKeyLGVOYTILZZLVJN-UHFFFAOYSA-N
XLogP5.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide (CID 24622389) is 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide is CCCOc1ccc2ccccc2c1CN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide?
The InChIKey is LGVOYTILZZLVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-5-14-32-22-11-10-19-8-6-7-9-20(19)21(22)15-28(4)23(30)12-13-29-16-27-25-24(26(29)31)17(2)18(3)33-25/h6-11,16H,5,12-15H2,1-4H3.
What are the key properties of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide?
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide has a molecular weight of 463.60 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide is sourced from PubChem (CID 24622389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).