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

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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).