N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C16H19N3O2S — CID 39613297

IUPACN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@H](c1cccs1)C1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-14(11-19-9-4-8-17-16(19)21)18-15(12-5-1-2-6-12)13-7-3-10-22-13/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,18,20)/t15-/m0/s1
InChIKeyDJYOXUZYYMVTQL-HNNXBMFYSA-N
MW317.41 g/mol
LogP2.35
Rot. Bonds5

About N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39613297) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39613297
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@H](c1cccs1)C1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-14(11-19-9-4-8-17-16(19)21)18-15(12-5-1-2-6-12)13-7-3-10-22-13/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,18,20)/t15-/m0/s1
InChIKeyDJYOXUZYYMVTQL-HNNXBMFYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-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

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39613298
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55690231
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
CID 47031450
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 104956902
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
N-[cyclopentyl(thiophen-2-yl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 47031446

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 39613297) is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)N[C@H](c1cccs1)C1CCCC1.
What is the InChIKey of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is DJYOXUZYYMVTQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-14(11-19-9-4-8-17-16(19)21)18-15(12-5-1-2-6-12)13-7-3-10-22-13/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39613297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).