potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide

C26H31KN4O6S2 — CID 138454774

IUPACpotassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide
SMILESCCNS(=O)(=O)[N-]C(=O)c1csc(CN(CCCc2ccccc2)C(=O)c2cc(OC)c(C)c(OC)c2)n1.[K+]
InChIInChI=1S/C26H32N4O6S2.K/c1-5-27-38(33,34)29-25(31)21-17-37-24(28-21)16-30(13-9-12-19-10-7-6-8-11-19)26(32)20-14-22(35-3)18(2)23(15-20)36-4;/h6-8,10-11,14-15,17,27H,5,9,12-13,16H2,1-4H3,(H,29,31);/q;+1/p-1
InChIKeyWKYBXXHNGOTYDD-UHFFFAOYSA-M
MW598.79 g/mol
LogP1.12
Rot. Bonds13

About potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide

potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide (PubChem CID 138454774) has the molecular formula C26H31KN4O6S2 and a molecular weight of 598.79 g/mol. Its IUPAC name is potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide.

Molecular Properties

Compound Namepotassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide
PubChem CID138454774
Molecular FormulaC26H31KN4O6S2
Molecular Weight598.79 g/mol
Exact Mass598.13
IUPAC Namepotassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide
SMILESCCNS(=O)(=O)[N-]C(=O)c1csc(CN(CCCc2ccccc2)C(=O)c2cc(OC)c(C)c(OC)c2)n1.[K+]
InChIInChI=1S/C26H32N4O6S2.K/c1-5-27-38(33,34)29-25(31)21-17-37-24(28-21)16-30(13-9-12-19-10-7-6-8-11-19)26(32)20-14-22(35-3)18(2)23(15-20)36-4;/h6-8,10-11,14-15,17,27H,5,9,12-13,16H2,1-4H3,(H,29,31);/q;+1/p-1
InChIKeyWKYBXXHNGOTYDD-UHFFFAOYSA-M
XLogP1.12
TPSA129.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide?
The IUPAC name of potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide (CID 138454774) is potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide.
What is the SMILES notation for potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide?
The canonical SMILES for potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide is CCNS(=O)(=O)[N-]C(=O)c1csc(CN(CCCc2ccccc2)C(=O)c2cc(OC)c(C)c(OC)c2)n1.[K+].
What is the InChIKey of potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide?
The InChIKey is WKYBXXHNGOTYDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H32N4O6S2.K/c1-5-27-38(33,34)29-25(31)21-17-37-24(28-21)16-30(13-9-12-19-10-7-6-8-11-19)26(32)20-14-22(35-3)18(2)23(15-20)36-4;/h6-8,10-11,14-15,17,27H,5,9,12-13,16H2,1-4H3,(H,29,31);/q;+1/p-1.
What are the key properties of potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide?
potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide has a molecular weight of 598.79 g/mol, XLogP of 1.12, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide is sourced from PubChem (CID 138454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).