N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine

C20H29N3O2S — CID 42518145

IUPACN-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1
InChIInChI=1S/C20H29N3O2S/c1-5-22(15-17(3)4)16-19-14-21-20(26(24,25)6-2)23(19)13-12-18-10-8-7-9-11-18/h7-11,14H,3,5-6,12-13,15-16H2,1-2,4H3
InChIKeyAPYMZMOQVGFWQA-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.32
Rot. Bonds10

About N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 42518145) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
PubChem CID42518145
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1
InChIInChI=1S/C20H29N3O2S/c1-5-22(15-17(3)4)16-19-14-21-20(26(24,25)6-2)23(19)13-12-18-10-8-7-9-11-18/h7-11,14H,3,5-6,12-13,15-16H2,1-2,4H3
InChIKeyAPYMZMOQVGFWQA-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine 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-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 25286988
N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 42288875
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-N-methylethanamine
CID 42596188
N-benzyl-N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-cyclopropylmethanamine
CID 42452914
N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 25286799
N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 25282632
N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45244584
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 56707479
2-[(2S)-1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25286200
N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 29026509
(3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methylpiperazin-2-one
CID 42287099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine (CID 42518145) is N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1.
What is the InChIKey of N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is APYMZMOQVGFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-5-22(15-17(3)4)16-19-14-21-20(26(24,25)6-2)23(19)13-12-18-10-8-7-9-11-18/h7-11,14H,3,5-6,12-13,15-16H2,1-2,4H3.
What are the key properties of N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 375.54 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 42518145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).