N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C20H17N3O2S — CID 30812236

IUPACN-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2sccc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-2-23(17-9-5-7-14-6-3-4-8-15(14)17)18(24)12-22-13-21-19-16(20(22)25)10-11-26-19/h3-11,13H,2,12H2,1H3
InChIKeyXKWYXUVFMZXZMW-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 30812236) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID30812236
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2sccc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-2-23(17-9-5-7-14-6-3-4-8-15(14)17)18(24)12-22-13-21-19-16(20(22)25)10-11-26-19/h3-11,13H,2,12H2,1H3
InChIKeyXKWYXUVFMZXZMW-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 42886212
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 46819114
N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-propylamino]acetic acid
CID 61012494
3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 60988516
methyl 3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 61244486
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593237
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 138041274
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594295
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 30812236) is N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCN(C(=O)Cn1cnc2sccc2c1=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is XKWYXUVFMZXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-23(17-9-5-7-14-6-3-4-8-15(14)17)18(24)12-22-13-21-19-16(20(22)25)10-11-26-19/h3-11,13H,2,12H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 30812236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).