3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide

C23H30N2O3S — CID 4040905

IUPAC3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N2O3S/c1-18(20-8-4-2-5-9-20)24-23(26)17-14-19-12-15-22(16-13-19)29(27,28)25-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,15-16,18,21,25H,3,6-7,10-11,14,17H2,1H3,(H,24,26)
InChIKeyYMDVTGSFKGKPPO-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.11
Rot. Bonds8

About 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide

3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide (PubChem CID 4040905) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide
PubChem CID4040905
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N2O3S/c1-18(20-8-4-2-5-9-20)24-23(26)17-14-19-12-15-22(16-13-19)29(27,28)25-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,15-16,18,21,25H,3,6-7,10-11,14,17H2,1H3,(H,24,26)
InChIKeyYMDVTGSFKGKPPO-UHFFFAOYSA-N
XLogP4.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide (CID 4040905) is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide?
The InChIKey is YMDVTGSFKGKPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18(20-8-4-2-5-9-20)24-23(26)17-14-19-12-15-22(16-13-19)29(27,28)25-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,15-16,18,21,25H,3,6-7,10-11,14,17H2,1H3,(H,24,26).
What are the key properties of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide?
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide has a molecular weight of 414.57 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 4040905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).