N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide

C30H37FN4O6S2 — CID 70349430

IUPACN-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCO)S(=O)(=O)NC(=O)c1nc(CN(CCCc2cccc(F)c2)C(=O)C2(c3ccc(OC)cc3)CC2)sc1C
InChIInChI=1S/C30H37FN4O6S2/c1-4-35(17-18-36)43(39,40)33-28(37)27-21(2)42-26(32-27)20-34(16-6-8-22-7-5-9-24(31)19-22)29(38)30(14-15-30)23-10-12-25(41-3)13-11-23/h5,7,9-13,19,36H,4,6,8,14-18,20H2,1-3H3,(H,33,37)
InChIKeyJQCDFDZABXOYGL-UHFFFAOYSA-N
MW632.78 g/mol
LogP3.58
Rot. Bonds15

About N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide

N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 70349430) has the molecular formula C30H37FN4O6S2 and a molecular weight of 632.78 g/mol. Its IUPAC name is N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID70349430
Molecular FormulaC30H37FN4O6S2
Molecular Weight632.78 g/mol
Exact Mass632.21
IUPAC NameN-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCO)S(=O)(=O)NC(=O)c1nc(CN(CCCc2cccc(F)c2)C(=O)C2(c3ccc(OC)cc3)CC2)sc1C
InChIInChI=1S/C30H37FN4O6S2/c1-4-35(17-18-36)43(39,40)33-28(37)27-21(2)42-26(32-27)20-34(16-6-8-22-7-5-9-24(31)19-22)29(38)30(14-15-30)23-10-12-25(41-3)13-11-23/h5,7,9-13,19,36H,4,6,8,14-18,20H2,1-3H3,(H,33,37)
InChIKeyJQCDFDZABXOYGL-UHFFFAOYSA-N
XLogP3.58
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.78
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 70349430) is N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide is CCN(CCO)S(=O)(=O)NC(=O)c1nc(CN(CCCc2cccc(F)c2)C(=O)C2(c3ccc(OC)cc3)CC2)sc1C.
What is the InChIKey of N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JQCDFDZABXOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O6S2/c1-4-35(17-18-36)43(39,40)33-28(37)27-21(2)42-26(32-27)20-34(16-6-8-22-7-5-9-24(31)19-22)29(38)30(14-15-30)23-10-12-25(41-3)13-11-23/h5,7,9-13,19,36H,4,6,8,14-18,20H2,1-3H3,(H,33,37).
What are the key properties of N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 632.78 g/mol, XLogP of 3.58, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(2-hydroxyethyl)sulfamoyl]-2-[[3-(3-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70349430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).