N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide

C22H27ClN2O3S — CID 1211157

IUPACN-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H27ClN2O3S/c23-21-9-5-4-6-18(21)16-24-22(26)15-12-17-10-13-20(14-11-17)29(27,28)25-19-7-2-1-3-8-19/h4-6,9-11,13-14,19,25H,1-3,7-8,12,15-16H2,(H,24,26)
InChIKeyDWEUDNKMUBWSDA-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.20
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide (PubChem CID 1211157) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
PubChem CID1211157
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H27ClN2O3S/c23-21-9-5-4-6-18(21)16-24-22(26)15-12-17-10-13-20(14-11-17)29(27,28)25-19-7-2-1-3-8-19/h4-6,9-11,13-14,19,25H,1-3,7-8,12,15-16H2,(H,24,26)
InChIKeyDWEUDNKMUBWSDA-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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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374108
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110355634
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1296344
N-[2-[(2-chlorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133238601

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide (CID 1211157) is N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The InChIKey is DWEUDNKMUBWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c23-21-9-5-4-6-18(21)16-24-22(26)15-12-17-10-13-20(14-11-17)29(27,28)25-19-7-2-1-3-8-19/h4-6,9-11,13-14,19,25H,1-3,7-8,12,15-16H2,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
N-[(2-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-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1211157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).