N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide

C14H19N3O4S — CID 20958590

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-17-9-14(15-10-17)22(18,19)16-7-6-11-4-5-12(20-2)13(8-11)21-3/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyCUOJSYKHIQZQRL-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.96
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 20958590) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID20958590
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-17-9-14(15-10-17)22(18,19)16-7-6-11-4-5-12(20-2)13(8-11)21-3/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyCUOJSYKHIQZQRL-UHFFFAOYSA-N
XLogP0.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 20958590) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide is COc1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is CUOJSYKHIQZQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-17-9-14(15-10-17)22(18,19)16-7-6-11-4-5-12(20-2)13(8-11)21-3/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).