N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide

C17H18ClN3O2S2 — CID 8576710

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C17H18ClN3O2S2/c1-4-20(7-12-5-6-13(18)25-12)14(22)8-21-9-19-16-15(17(21)23)10(2)11(3)24-16/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUISNMLQPCOSHDQ-UHFFFAOYSA-N
MW395.94 g/mol
LogP3.84
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide (PubChem CID 8576710) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
PubChem CID8576710
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C17H18ClN3O2S2/c1-4-20(7-12-5-6-13(18)25-12)14(22)8-21-9-19-16-15(17(21)23)10(2)11(3)24-16/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUISNMLQPCOSHDQ-UHFFFAOYSA-N
XLogP3.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide (CID 8576710) is N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
The InChIKey is UISNMLQPCOSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S2/c1-4-20(7-12-5-6-13(18)25-12)14(22)8-21-9-19-16-15(17(21)23)10(2)11(3)24-16/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide has a molecular weight of 395.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide is sourced from PubChem (CID 8576710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).