N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

C20H21N3O2S — CID 45498399

IUPACN-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-c2csc3c(=O)n(CC(=O)NC4CCCC4)cnc23)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-6-8-14(9-7-13)16-11-26-19-18(16)21-12-23(20(19)25)10-17(24)22-15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H,22,24)
InChIKeyODHNYZFZMFKKKV-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.49
Rot. Bonds4

About N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 45498399) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID45498399
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-c2csc3c(=O)n(CC(=O)NC4CCCC4)cnc23)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-6-8-14(9-7-13)16-11-26-19-18(16)21-12-23(20(19)25)10-17(24)22-15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H,22,24)
InChIKeyODHNYZFZMFKKKV-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 45498399) is N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is Cc1ccc(-c2csc3c(=O)n(CC(=O)NC4CCCC4)cnc23)cc1.
What is the InChIKey of N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is ODHNYZFZMFKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-6-8-14(9-7-13)16-11-26-19-18(16)21-12-23(20(19)25)10-17(24)22-15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H,22,24).
What are the key properties of N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 45498399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).