N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H21N3O2S — CID 733723

IUPACN-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1
InChIInChI=1S/C16H21N3O2S/c1-2-12-8-13-15(22-12)17-10-19(16(13)21)9-14(20)18-11-6-4-3-5-7-11/h8,10-11H,2-7,9H2,1H3,(H,18,20)
InChIKeyQAPKDOLKLWHDSW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.47
Rot. Bonds4

About N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 733723) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID733723
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1
InChIInChI=1S/C16H21N3O2S/c1-2-12-8-13-15(22-12)17-10-19(16(13)21)9-14(20)18-11-6-4-3-5-7-11/h8,10-11H,2-7,9H2,1H3,(H,18,20)
InChIKeyQAPKDOLKLWHDSW-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 645569
6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 735018
N-cyclopentyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2158349
N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
CID 1453222
N-isopropyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2059275
N-allyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2158417
N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2816848
N-(sec-butyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3329816
N-isobutyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3466003
N-(sec-butyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3589942
N-butyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3626347
N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9267178

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 733723) is N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1.
What is the InChIKey of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QAPKDOLKLWHDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-12-8-13-15(22-12)17-10-19(16(13)21)9-14(20)18-11-6-4-3-5-7-11/h8,10-11H,2-7,9H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 733723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).