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

C16H23N3O4S — CID 20958634

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1OCC
InChIInChI=1S/C16H23N3O4S/c1-4-22-14-7-6-13(10-15(14)23-5-2)8-9-18-24(20,21)16-11-19(3)12-17-16/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyBXDZXAODQFXORY-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.74
Rot. Bonds9

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

N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 20958634) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID20958634
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1OCC
InChIInChI=1S/C16H23N3O4S/c1-4-22-14-7-6-13(10-15(14)23-5-2)8-9-18-24(20,21)16-11-19(3)12-17-16/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyBXDZXAODQFXORY-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.74
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-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 20958634) is N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide is CCOc1ccc(CCNS(=O)(=O)c2cn(C)cn2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is BXDZXAODQFXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-4-22-14-7-6-13(10-15(14)23-5-2)8-9-18-24(20,21)16-11-19(3)12-17-16/h6-7,10-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).