N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide

C14H21N5O4S — CID 122304567

IUPACN-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cn(C(C)C)cn2)c(OCC)n1
InChIInChI=1S/C14H21N5O4S/c1-5-22-13-11(7-15-14(17-13)23-6-2)18-24(20,21)12-8-19(9-16-12)10(3)4/h7-10,18H,5-6H2,1-4H3
InChIKeyQXUKITQRBUZRKX-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.85
Rot. Bonds8

About N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122304567) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID122304567
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cn(C(C)C)cn2)c(OCC)n1
InChIInChI=1S/C14H21N5O4S/c1-5-22-13-11(7-15-14(17-13)23-6-2)18-24(20,21)12-8-19(9-16-12)10(3)4/h7-10,18H,5-6H2,1-4H3
InChIKeyQXUKITQRBUZRKX-UHFFFAOYSA-N
XLogP1.85
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide 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-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 122304567) is N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide is CCOc1ncc(NS(=O)(=O)c2cn(C(C)C)cn2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is QXUKITQRBUZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-5-22-13-11(7-15-14(17-13)23-6-2)18-24(20,21)12-8-19(9-16-12)10(3)4/h7-10,18H,5-6H2,1-4H3.
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 355.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122304567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).