N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide

C26H37N7O6S — CID 10393352

IUPACN,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28)
InChIKeyFLAAMGLVCDJLIE-UHFFFAOYSA-N
MW575.69 g/mol
LogP1.52
Rot. Bonds8

About N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide

N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide (PubChem CID 10393352) has the molecular formula C26H37N7O6S and a molecular weight of 575.69 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide
PubChem CID10393352
Molecular FormulaC26H37N7O6S
Molecular Weight575.69 g/mol
Exact Mass575.25
IUPAC NameN,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28)
InChIKeyFLAAMGLVCDJLIE-UHFFFAOYSA-N
XLogP1.52
TPSA142.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide (CID 10393352) is N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide is CCCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide?
The InChIKey is FLAAMGLVCDJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28).
What are the key properties of N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide?
N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide has a molecular weight of 575.69 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 10393352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).