2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide

C30H37FN4O6S2 — CID 88599137

IUPAC2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(CN(CCCc2ccccc2)C(=O)C2(c3ccc(OCCF)cc3)CC2)nc1C(=O)NS(=O)(=O)N(C)CCO
InChIInChI=1S/C30H37FN4O6S2/c1-22-27(28(37)33-43(39,40)34(2)18-19-36)32-26(42-22)21-35(17-6-9-23-7-4-3-5-8-23)29(38)30(14-15-30)24-10-12-25(13-11-24)41-20-16-31/h3-5,7-8,10-13,36H,6,9,14-21H2,1-2H3,(H,33,37)
InChIKeyGFDIEXLXLRKXID-UHFFFAOYSA-N
MW632.78 g/mol
LogP3.39
Rot. Bonds16

About 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide

2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 88599137) has the molecular formula C30H37FN4O6S2 and a molecular weight of 632.78 g/mol. Its IUPAC name is 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID88599137
Molecular FormulaC30H37FN4O6S2
Molecular Weight632.78 g/mol
Exact Mass632.21
IUPAC Name2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(CN(CCCc2ccccc2)C(=O)C2(c3ccc(OCCF)cc3)CC2)nc1C(=O)NS(=O)(=O)N(C)CCO
InChIInChI=1S/C30H37FN4O6S2/c1-22-27(28(37)33-43(39,40)34(2)18-19-36)32-26(42-22)21-35(17-6-9-23-7-4-3-5-8-23)29(38)30(14-15-30)24-10-12-25(13-11-24)41-20-16-31/h3-5,7-8,10-13,36H,6,9,14-21H2,1-2H3,(H,33,37)
InChIKeyGFDIEXLXLRKXID-UHFFFAOYSA-N
XLogP3.39
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 88599137) is 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(CN(CCCc2ccccc2)C(=O)C2(c3ccc(OCCF)cc3)CC2)nc1C(=O)NS(=O)(=O)N(C)CCO.
What is the InChIKey of 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GFDIEXLXLRKXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O6S2/c1-22-27(28(37)33-43(39,40)34(2)18-19-36)32-26(42-22)21-35(17-6-9-23-7-4-3-5-8-23)29(38)30(14-15-30)24-10-12-25(13-11-24)41-20-16-31/h3-5,7-8,10-13,36H,6,9,14-21H2,1-2H3,(H,33,37).
What are the key properties of 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 632.78 g/mol, XLogP of 3.39, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 88599137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).