N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide

C20H21N3O3S — CID 18572067

IUPACN-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide
SMILESCOc1ccc(-c2cnc(S(=O)CC(=O)NCc3ccccc3)n2C)cc1
InChIInChI=1S/C20H21N3O3S/c1-23-18(16-8-10-17(26-2)11-9-16)13-22-20(23)27(25)14-19(24)21-12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,21,24)
InChIKeyPZECVFWRBRAJPD-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.52
Rot. Bonds7

About N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide

N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide (PubChem CID 18572067) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide
PubChem CID18572067
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide
SMILESCOc1ccc(-c2cnc(S(=O)CC(=O)NCc3ccccc3)n2C)cc1
InChIInChI=1S/C20H21N3O3S/c1-23-18(16-8-10-17(26-2)11-9-16)13-22-20(23)27(25)14-19(24)21-12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,21,24)
InChIKeyPZECVFWRBRAJPD-UHFFFAOYSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17437882
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfonyl-N-phenylacetamide
CID 18572074
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
N-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067092

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide?
The IUPAC name of N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide (CID 18572067) is N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide.
What is the SMILES notation for N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide?
The canonical SMILES for N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide is COc1ccc(-c2cnc(S(=O)CC(=O)NCc3ccccc3)n2C)cc1.
What is the InChIKey of N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide?
The InChIKey is PZECVFWRBRAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23-18(16-8-10-17(26-2)11-9-16)13-22-20(23)27(25)14-19(24)21-12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide?
N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide has a molecular weight of 383.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide is sourced from PubChem (CID 18572067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).