2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide

C23H23N5O2S — CID 144748671

IUPAC2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
SMILESC=C1N(C)C(=O)c2c(nc(C3CC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)N1C
InChIInChI=1S/C23H23N5O2S/c1-14-26(2)22-20(23(30)27(14)3)28(21(25-22)16-4-5-16)12-19(29)24-18-8-6-15(7-9-18)17-10-11-31-13-17/h6-11,13,16H,1,4-5,12H2,2-3H3,(H,24,29)
InChIKeyQIQGVPFPZFGCQU-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.12
Rot. Bonds5

About 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide

2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide (PubChem CID 144748671) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
PubChem CID144748671
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
SMILESC=C1N(C)C(=O)c2c(nc(C3CC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)N1C
InChIInChI=1S/C23H23N5O2S/c1-14-26(2)22-20(23(30)27(14)3)28(21(25-22)16-4-5-16)12-19(29)24-18-8-6-15(7-9-18)17-10-11-31-13-17/h6-11,13,16H,1,4-5,12H2,2-3H3,(H,24,29)
InChIKeyQIQGVPFPZFGCQU-UHFFFAOYSA-N
XLogP4.12
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)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-(8-cyclopropyl-2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
CID 154934652
2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide
CID 86763610
N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116741
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide
CID 86765042
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 8804931
methyl 1-(2-hydroxyethyl)-5-oxo-4-(4-thiophen-3-ylanilino)-2H-pyrrole-3-carboxylate
CID 168562909
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
The IUPAC name of 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide (CID 144748671) is 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
The canonical SMILES for 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide is C=C1N(C)C(=O)c2c(nc(C3CC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)N1C.
What is the InChIKey of 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
The InChIKey is QIQGVPFPZFGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-26(2)22-20(23(30)27(14)3)28(21(25-22)16-4-5-16)12-19(29)24-18-8-6-15(7-9-18)17-10-11-31-13-17/h6-11,13,16H,1,4-5,12H2,2-3H3,(H,24,29).
What are the key properties of 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide has a molecular weight of 433.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclopropyl-1,3-dimethyl-2-methylidene-6-oxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide is sourced from PubChem (CID 144748671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).