2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide

C16H18N6O3S — CID 167287889

IUPAC2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide
SMILESCCOc1cc(NC(=O)CSc2nc(N)nc3nc[nH]c23)ccc1OC
InChIInChI=1S/C16H18N6O3S/c1-3-25-11-6-9(4-5-10(11)24-2)20-12(23)7-26-15-13-14(19-8-18-13)21-16(17)22-15/h4-6,8H,3,7H2,1-2H3,(H,20,23)(H3,17,18,19,21,22)
InChIKeyIQOAXHMAIVGPTE-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.07
Rot. Bonds7

About 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide

2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide (PubChem CID 167287889) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide
PubChem CID167287889
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide
SMILESCCOc1cc(NC(=O)CSc2nc(N)nc3nc[nH]c23)ccc1OC
InChIInChI=1S/C16H18N6O3S/c1-3-25-11-6-9(4-5-10(11)24-2)20-12(23)7-26-15-13-14(19-8-18-13)21-16(17)22-15/h4-6,8H,3,7H2,1-2H3,(H,20,23)(H3,17,18,19,21,22)
InChIKeyIQOAXHMAIVGPTE-UHFFFAOYSA-N
XLogP2.07
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)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

methyl 5-[[2-[(2-amino-7H-purin-6-yl)sulfanyl]acetyl]amino]-2-methoxybenzoate
CID 167288017
3-[(2-amino-7H-purin-6-yl)sulfanyl]-2-(3,4-dimethoxyanilino)propanoic acid
CID 166565164
6-[2-(3,4-dimethoxyanilino)pentylsulfanyl]-7H-purin-2-amine
CID 166565269
6-[(2S)-2-(3,4-dimethoxyanilino)pentyl]sulfanyl-7H-purin-2-amine
CID 166565155
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4,6-difluoropyrimidin-2-yl)acetamide
CID 166565114
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-hydroxy-3-methoxyphenyl)butanamide
CID 166565091
6-[[1-(3,4-dimethoxyanilino)cyclopropyl]methylsulfanyl]-7H-purin-2-amine
CID 166565162
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 166565231
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(2,4-difluoro-5-hydroxyphenyl)acetamide
CID 167287999
N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
CID 167846360

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide (CID 167287889) is 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide is CCOc1cc(NC(=O)CSc2nc(N)nc3nc[nH]c23)ccc1OC.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide?
The InChIKey is IQOAXHMAIVGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-3-25-11-6-9(4-5-10(11)24-2)20-12(23)7-26-15-13-14(19-8-18-13)21-16(17)22-15/h4-6,8H,3,7H2,1-2H3,(H,20,23)(H3,17,18,19,21,22).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide?
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide has a molecular weight of 374.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide is sourced from PubChem (CID 167287889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).