4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide

C13H23N3O3S — CID 146287752

IUPAC4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide
SMILESCNC(=O)c1nc(C(C)=O)cn1COCCS(C)(C)C
InChIInChI=1S/C13H23N3O3S/c1-10(17)11-8-16(12(15-11)13(18)14-2)9-19-6-7-20(3,4)5/h8H,6-7,9H2,1-5H3,(H,14,18)
InChIKeyIKEGKGJOVQPIDM-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.11
Rot. Bonds7

About 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide

4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide (PubChem CID 146287752) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide
PubChem CID146287752
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide
SMILESCNC(=O)c1nc(C(C)=O)cn1COCCS(C)(C)C
InChIInChI=1S/C13H23N3O3S/c1-10(17)11-8-16(12(15-11)13(18)14-2)9-19-6-7-20(3,4)5/h8H,6-7,9H2,1-5H3,(H,14,18)
InChIKeyIKEGKGJOVQPIDM-UHFFFAOYSA-N
XLogP1.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-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 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide?
The IUPAC name of 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide (CID 146287752) is 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide is CNC(=O)c1nc(C(C)=O)cn1COCCS(C)(C)C.
What is the InChIKey of 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide?
The InChIKey is IKEGKGJOVQPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(17)11-8-16(12(15-11)13(18)14-2)9-19-6-7-20(3,4)5/h8H,6-7,9H2,1-5H3,(H,14,18).
What are the key properties of 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide?
4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-2-carboxamide is sourced from PubChem (CID 146287752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).