N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C16H21N3O2S — CID 7150925

IUPACN-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)18-14(20)11-22-15-17-9-10-19(15)12-7-5-6-8-13(12)21-4/h5-10H,11H2,1-4H3,(H,18,20)
InChIKeyMROZTXMWISHLNQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.89
Rot. Bonds5

About N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150925) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150925
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)18-14(20)11-22-15-17-9-10-19(15)12-7-5-6-8-13(12)21-4/h5-10H,11H2,1-4H3,(H,18,20)
InChIKeyMROZTXMWISHLNQ-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide 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-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150925) is N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is MROZTXMWISHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)18-14(20)11-22-15-17-9-10-19(15)12-7-5-6-8-13(12)21-4/h5-10H,11H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).