N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide

C19H29N3O2S — CID 166360372

IUPACN-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide
SMILESCC(C)(C)c1ccc(C(C)(C)CNS(=O)(=O)CCn2ccnc2)cc1
InChIInChI=1S/C19H29N3O2S/c1-18(2,3)16-6-8-17(9-7-16)19(4,5)14-21-25(23,24)13-12-22-11-10-20-15-22/h6-11,15,21H,12-14H2,1-5H3
InChIKeyIAHNPXWKTOMOEZ-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide

N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide (PubChem CID 166360372) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide
PubChem CID166360372
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide
SMILESCC(C)(C)c1ccc(C(C)(C)CNS(=O)(=O)CCn2ccnc2)cc1
InChIInChI=1S/C19H29N3O2S/c1-18(2,3)16-6-8-17(9-7-16)19(4,5)14-21-25(23,24)13-12-22-11-10-20-15-22/h6-11,15,21H,12-14H2,1-5H3
InChIKeyIAHNPXWKTOMOEZ-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349544
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
CID 58624286
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine
CID 109465046
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
[3-(2-imidazol-1-ylethylsulfonylamino)-2-methoxy-2-methylpropyl] N-methyl-N-octadecylcarbamate
CID 15230854
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
CID 154743974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide (CID 166360372) is N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide is CC(C)(C)c1ccc(C(C)(C)CNS(=O)(=O)CCn2ccnc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide?
The InChIKey is IAHNPXWKTOMOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-18(2,3)16-6-8-17(9-7-16)19(4,5)14-21-25(23,24)13-12-22-11-10-20-15-22/h6-11,15,21H,12-14H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide?
N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide has a molecular weight of 363.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide is sourced from PubChem (CID 166360372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).