(2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide

C26H25F3N4O5S — CID 162615984

IUPAC(2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(NC(=O)NS(=O)(=O)Nc3ccccc3C(F)(F)F)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H25F3N4O5S/c1-33(18-12-14-19(38-2)15-13-18)23(34)25(16-21(25)17-8-4-3-5-9-17)30-24(35)32-39(36,37)31-22-11-7-6-10-20(22)26(27,28)29/h3-15,21,31H,16H2,1-2H3,(H2,30,32,35)/t21-,25?/m1/s1
InChIKeyGNDGUSYQYCJRDR-JGKWMGOWSA-N
MW562.57 g/mol
LogP4.26
Rot. Bonds8

About (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide

(2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide (PubChem CID 162615984) has the molecular formula C26H25F3N4O5S and a molecular weight of 562.57 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide
PubChem CID162615984
Molecular FormulaC26H25F3N4O5S
Molecular Weight562.57 g/mol
Exact Mass562.15
IUPAC Name(2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(NC(=O)NS(=O)(=O)Nc3ccccc3C(F)(F)F)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H25F3N4O5S/c1-33(18-12-14-19(38-2)15-13-18)23(34)25(16-21(25)17-8-4-3-5-9-17)30-24(35)32-39(36,37)31-22-11-7-6-10-20(22)26(27,28)29/h3-15,21,31H,16H2,1-2H3,(H2,30,32,35)/t21-,25?/m1/s1
InChIKeyGNDGUSYQYCJRDR-JGKWMGOWSA-N
XLogP4.26
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.57
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide (CID 162615984) is (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide is COc1ccc(N(C)C(=O)C2(NC(=O)NS(=O)(=O)Nc3ccccc3C(F)(F)F)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide?
The InChIKey is GNDGUSYQYCJRDR-JGKWMGOWSA-N. The full InChI is InChI=1S/C26H25F3N4O5S/c1-33(18-12-14-19(38-2)15-13-18)23(34)25(16-21(25)17-8-4-3-5-9-17)30-24(35)32-39(36,37)31-22-11-7-6-10-20(22)26(27,28)29/h3-15,21,31H,16H2,1-2H3,(H2,30,32,35)/t21-,25?/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide?
(2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide has a molecular weight of 562.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-N-methyl-2-phenyl-1-[[2-(trifluoromethyl)phenyl]sulfamoylcarbamoylamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 162615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).