2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide

C23H29N3O5S2 — CID 647336

IUPAC2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C23H29N3O5S2/c27-23(24-18-7-3-1-4-8-18)17-26(20-11-12-20)33(30,31)22-15-13-21(14-16-22)32(28,29)25-19-9-5-2-6-10-19/h1,3-4,7-8,13-16,19-20,25H,2,5-6,9-12,17H2,(H,24,27)
InChIKeyFTNLWFHVKCMSJG-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.09
Rot. Bonds9

About 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide

2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide (PubChem CID 647336) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide
PubChem CID647336
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC Name2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C23H29N3O5S2/c27-23(24-18-7-3-1-4-8-18)17-26(20-11-12-20)33(30,31)22-15-13-21(14-16-22)32(28,29)25-19-9-5-2-6-10-19/h1,3-4,7-8,13-16,19-20,25H,2,5-6,9-12,17H2,(H,24,27)
InChIKeyFTNLWFHVKCMSJG-UHFFFAOYSA-N
XLogP3.09
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide (CID 647336) is 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide is O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide?
The InChIKey is FTNLWFHVKCMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c27-23(24-18-7-3-1-4-8-18)17-26(20-11-12-20)33(30,31)22-15-13-21(14-16-22)32(28,29)25-19-9-5-2-6-10-19/h1,3-4,7-8,13-16,19-20,25H,2,5-6,9-12,17H2,(H,24,27).
What are the key properties of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide?
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide has a molecular weight of 491.64 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-cyclopropylamino]-N-phenylacetamide is sourced from PubChem (CID 647336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).