N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide

C25H33N3O4S — CID 146503507

IUPACN-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H33N3O4S/c1-18(2)28-33(31,32)22-15-13-21(14-16-22)26-25(30)23(17-19-9-5-3-6-10-19)27-24(29)20-11-7-4-8-12-20/h3,5-6,9-10,13-16,18,20,23,28H,4,7-8,11-12,17H2,1-2H3,(H,26,30)(H,27,29)/t23-/m0/s1
InChIKeyNVCBPMFWJTWLIJ-QHCPKHFHSA-N
MW471.62 g/mol
LogP3.62
Rot. Bonds9

About N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide (PubChem CID 146503507) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide
PubChem CID146503507
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H33N3O4S/c1-18(2)28-33(31,32)22-15-13-21(14-16-22)26-25(30)23(17-19-9-5-3-6-10-19)27-24(29)20-11-7-4-8-12-20/h3,5-6,9-10,13-16,18,20,23,28H,4,7-8,11-12,17H2,1-2H3,(H,26,30)(H,27,29)/t23-/m0/s1
InChIKeyNVCBPMFWJTWLIJ-QHCPKHFHSA-N
XLogP3.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide (CID 146503507) is N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide?
The InChIKey is NVCBPMFWJTWLIJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-18(2)28-33(31,32)22-15-13-21(14-16-22)26-25(30)23(17-19-9-5-3-6-10-19)27-24(29)20-11-7-4-8-12-20/h3,5-6,9-10,13-16,18,20,23,28H,4,7-8,11-12,17H2,1-2H3,(H,26,30)(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 146503507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).