N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide

C15H21N3O3S — CID 71865327

IUPACN-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2cnc(C(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3O3S/c1-5-21-13-8-6-12(7-9-13)18(4)22(19,20)14-10-16-15(17-14)11(2)3/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyZOQICXDTRKKPSU-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.76
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 71865327) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID71865327
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2cnc(C(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3O3S/c1-5-21-13-8-6-12(7-9-13)18(4)22(19,20)14-10-16-15(17-14)11(2)3/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyZOQICXDTRKKPSU-UHFFFAOYSA-N
XLogP2.76
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 71865327) is N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide is CCOc1ccc(N(C)S(=O)(=O)c2cnc(C(C)C)[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is ZOQICXDTRKKPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-21-13-8-6-12(7-9-13)18(4)22(19,20)14-10-16-15(17-14)11(2)3/h6-11H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 71865327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).