3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide

C23H30N4O4S — CID 21389041

IUPAC3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)NN2CCCCC2)cc1
InChIInChI=1S/C23H30N4O4S/c28-22(14-11-19-7-3-1-4-8-19)24-16-15-20-9-12-21(13-10-20)32(30,31)26-23(29)25-27-17-5-2-6-18-27/h1,3-4,7-10,12-13H,2,5-6,11,14-18H2,(H,24,28)(H2,25,26,29)
InChIKeyOJRYWXYEOFINEZ-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.37
Rot. Bonds9

About 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide

3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 21389041) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID21389041
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)NN2CCCCC2)cc1
InChIInChI=1S/C23H30N4O4S/c28-22(14-11-19-7-3-1-4-8-19)24-16-15-20-9-12-21(13-10-20)32(30,31)26-23(29)25-27-17-5-2-6-18-27/h1,3-4,7-10,12-13H,2,5-6,11,14-18H2,(H,24,28)(H2,25,26,29)
InChIKeyOJRYWXYEOFINEZ-UHFFFAOYSA-N
XLogP2.37
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide (CID 21389041) is 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide is O=C(CCc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)NN2CCCCC2)cc1.
What is the InChIKey of 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is OJRYWXYEOFINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c28-22(14-11-19-7-3-1-4-8-19)24-16-15-20-9-12-21(13-10-20)32(30,31)26-23(29)25-27-17-5-2-6-18-27/h1,3-4,7-10,12-13H,2,5-6,11,14-18H2,(H,24,28)(H2,25,26,29).
What are the key properties of 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide?
3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 458.58 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 21389041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).