N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide

C15H15N5O5S — CID 118724582

IUPACN-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1OC
InChIInChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)
InChIKeyJYXYUNUYLFOUAX-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.69
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide (PubChem CID 118724582) has the molecular formula C15H15N5O5S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide
PubChem CID118724582
Molecular FormulaC15H15N5O5S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1OC
InChIInChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)
InChIKeyJYXYUNUYLFOUAX-UHFFFAOYSA-N
XLogP0.69
TPSA141.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide with MolForge

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Related Compounds

8-[(4-Methoxyphenyl)amino]-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 677347
N-(3,4-dimethoxyphenyl)-2-({5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)acetamide
CID 101891745
2-((6-Amino-9H-purin-8-yl)thio)-N-(3,4-dimethoxyphenyl)acetamide
CID 101891746
N-(2,5-Dimethoxy-phenyl)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide
CID 650357
N-Benzo[1,3]dioxol-5-yl-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide
CID 653791
2-[(6-amino-2-methylsulfanyl-7H-purin-8-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 118724580
N-(3,4-dimethoxyphenyl)-2-[(6-oxo-1,7-dihydropurin-8-yl)sulfanyl]acetamide
CID 136087014
N-Benzo[1,3]dioxol-5-yl-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide
CID 647398
N-Benzo[1,3]dioxol-5-yl-2-(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide
CID 650534
N-Benzo[1,3]dioxol-5-yl-2-(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide
CID 652008
N-(3,4-dimethoxyphenyl)-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2302157
N-(3,4-Dimethoxy-phenyl)-2-(7-hydroxy-5-oxo-4,5-dihydro-thiazolo[4,5-d]pyrimidin-2-ylsulfanyl)-acetamide
CID 6499378

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide (CID 118724582) is N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide?
The InChIKey is JYXYUNUYLFOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]acetamide is sourced from PubChem (CID 118724582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).