N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide

C16H17N3O2S — CID 7185319

IUPACN-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1ccccc1
InChIInChI=1S/C16H17N3O2S/c20-14(17-9-11-5-2-1-3-6-11)10-22-15-12-7-4-8-13(12)18-16(21)19-15/h1-3,5-6H,4,7-10H2,(H,17,20)(H,18,19,21)
InChIKeyOZRUBLBNBNWNSF-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.67
Rot. Bonds5

About N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide

N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7185319) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7185319
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1ccccc1
InChIInChI=1S/C16H17N3O2S/c20-14(17-9-11-5-2-1-3-6-11)10-22-15-12-7-4-8-13(12)18-16(21)19-15/h1-3,5-6H,4,7-10H2,(H,17,20)(H,18,19,21)
InChIKeyOZRUBLBNBNWNSF-UHFFFAOYSA-N
XLogP1.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-phenylmethyl]acetamide
CID 1811624
N-benzyl-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259321
2-[(3-Benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4056808
N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183928
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183929
N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185321
N-[(4-methylphenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185415
N-benzyl-2-((1-(2-(dimethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 7587791
N-benzyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3581430
2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7385607
N-benzyl-2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 7587825
2-[(6-Methyl-2-oxo-1,2-dihydropyrimidin-4-YL)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 7183972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide (CID 7185319) is N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is OZRUBLBNBNWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-14(17-9-11-5-2-1-3-6-11)10-22-15-12-7-4-8-13(12)18-16(21)19-15/h1-3,5-6H,4,7-10H2,(H,17,20)(H,18,19,21).
What are the key properties of N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).