N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide

C22H27ClN2O3S — CID 1211170

IUPACN-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c23-19-11-6-18(7-12-19)16-24-22(26)15-10-17-8-13-21(14-9-17)29(27,28)25-20-4-2-1-3-5-20/h6-9,11-14,20,25H,1-5,10,15-16H2,(H,24,26)
InChIKeyIMUAXTHITMLRGU-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.20
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide

N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide (PubChem CID 1211170) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
PubChem CID1211170
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c23-19-11-6-18(7-12-19)16-24-22(26)15-10-17-8-13-21(14-9-17)29(27,28)25-20-4-2-1-3-5-20/h6-9,11-14,20,25H,1-5,10,15-16H2,(H,24,26)
InChIKeyIMUAXTHITMLRGU-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide (CID 1211170) is N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The InChIKey is IMUAXTHITMLRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c23-19-11-6-18(7-12-19)16-24-22(26)15-10-17-8-13-21(14-9-17)29(27,28)25-20-4-2-1-3-5-20/h6-9,11-14,20,25H,1-5,10,15-16H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide has a molecular weight of 434.99 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1211170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).