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

C17H19N3O3S — CID 7185242

IUPACN-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C17H19N3O3S/c1-23-14-8-3-2-5-11(14)9-18-15(21)10-24-16-12-6-4-7-13(12)19-17(22)20-16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyGRBICIGWDOYNKA-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.68
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7185242) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7185242
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C17H19N3O3S/c1-23-14-8-3-2-5-11(14)9-18-15(21)10-24-16-12-6-4-7-13(12)19-17(22)20-16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyGRBICIGWDOYNKA-UHFFFAOYSA-N
XLogP1.68
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[[1-(2-hydroxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 41245786
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185369
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9404923
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
N-[(4-fluorophenyl)methyl]-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 135631275
N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 18427603
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 43301707
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8674414

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide (CID 7185242) is N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide is COc1ccccc1CNC(=O)CSc1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is GRBICIGWDOYNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-14-8-3-2-5-11(14)9-18-15(21)10-24-16-12-6-4-7-13(12)19-17(22)20-16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).