2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide

C24H27FN4O6S2 — CID 56943720

IUPAC2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc([C@@H](O)C(=O)N(CCCc2cccc(F)c2)Cc2nc(C(=O)NS(N)(=O)=O)c(C)s2)cc1
InChIInChI=1S/C24H27FN4O6S2/c1-15-21(23(31)28-37(26,33)34)27-20(36-15)14-29(12-4-6-16-5-3-7-18(25)13-16)24(32)22(30)17-8-10-19(35-2)11-9-17/h3,5,7-11,13,22,30H,4,6,12,14H2,1-2H3,(H,28,31)(H2,26,33,34)/t22-/m1/s1
InChIKeyGIOMKWVJXDROMO-JOCHJYFZSA-N
MW550.63 g/mol
LogP2.23
Rot. Bonds11

About 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide

2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide (PubChem CID 56943720) has the molecular formula C24H27FN4O6S2 and a molecular weight of 550.63 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
PubChem CID56943720
Molecular FormulaC24H27FN4O6S2
Molecular Weight550.63 g/mol
Exact Mass550.14
IUPAC Name2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc([C@@H](O)C(=O)N(CCCc2cccc(F)c2)Cc2nc(C(=O)NS(N)(=O)=O)c(C)s2)cc1
InChIInChI=1S/C24H27FN4O6S2/c1-15-21(23(31)28-37(26,33)34)27-20(36-15)14-29(12-4-6-16-5-3-7-18(25)13-16)24(32)22(30)17-8-10-19(35-2)11-9-17/h3,5,7-11,13,22,30H,4,6,12,14H2,1-2H3,(H,28,31)(H2,26,33,34)/t22-/m1/s1
InChIKeyGIOMKWVJXDROMO-JOCHJYFZSA-N
XLogP2.23
TPSA151.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.63
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 11960929
(R)-2-((2-(2-Fluoro-4-methoxyphenyl)-2-hydroxy-N-(3-phenylpropyl)acetamido)methyl)-5-methyl-N-(methylsulfonyl)thiazole-4-carboxamide
CID 56943915
N-[3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 11960928
N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 11961011
N-(dimethylsulfamoyl)-2-[[[2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51352520
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-[2-fluoroethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51353409
2-[[[2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 56943619
2-[[3-(2-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 56943819
N-ethylsulfonyl-2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 56943916
2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
CID 56943919
2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-(2-hydroxypropylsulfonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 56945064
N-(dimethylsulfamoyl)-2-[[3-(4-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 56945068

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide (CID 56943720) is 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide is COc1ccc([C@@H](O)C(=O)N(CCCc2cccc(F)c2)Cc2nc(C(=O)NS(N)(=O)=O)c(C)s2)cc1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The InChIKey is GIOMKWVJXDROMO-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27FN4O6S2/c1-15-21(23(31)28-37(26,33)34)27-20(36-15)14-29(12-4-6-16-5-3-7-18(25)13-16)24(32)22(30)17-8-10-19(35-2)11-9-17/h3,5,7-11,13,22,30H,4,6,12,14H2,1-2H3,(H,28,31)(H2,26,33,34)/t22-/m1/s1.
What are the key properties of 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide?
2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide has a molecular weight of 550.63 g/mol, XLogP of 2.23, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56943720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).