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

C23H21N3O2S — CID 42886212

IUPACN-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(c1cccc2ccccc12)N(C(=O)Cn1cnc2sccc2c1=O)C1CC1
InChIInChI=1S/C23H21N3O2S/c1-15(18-8-4-6-16-5-2-3-7-19(16)18)26(17-9-10-17)21(27)13-25-14-24-22-20(23(25)28)11-12-29-22/h2-8,11-12,14-15,17H,9-10,13H2,1H3
InChIKeyQBCKOWICJHENGF-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.36
Rot. Bonds5

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

N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 42886212) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID42886212
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(c1cccc2ccccc12)N(C(=O)Cn1cnc2sccc2c1=O)C1CC1
InChIInChI=1S/C23H21N3O2S/c1-15(18-8-4-6-16-5-2-3-7-19(16)18)26(17-9-10-17)21(27)13-25-14-24-22-20(23(25)28)11-12-29-22/h2-8,11-12,14-15,17H,9-10,13H2,1H3
InChIKeyQBCKOWICJHENGF-UHFFFAOYSA-N
XLogP4.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 42886212) is N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CC(c1cccc2ccccc12)N(C(=O)Cn1cnc2sccc2c1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QBCKOWICJHENGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15(18-8-4-6-16-5-2-3-7-19(16)18)26(17-9-10-17)21(27)13-25-14-24-22-20(23(25)28)11-12-29-22/h2-8,11-12,14-15,17H,9-10,13H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-naphthalen-1-ylethyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 42886212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).