3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide

C21H27N3O3S — CID 46521495

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-22-28(26,27)20-12-5-17(6-13-20)7-14-21(25)23-18-8-10-19(11-9-18)24-15-3-2-4-16-24/h5-6,8-13,22H,2-4,7,14-16H2,1H3,(H,23,25)
InChIKeyFXQDIYYTMNSMIE-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.16
Rot. Bonds7

About 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide

3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 46521495) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID46521495
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-22-28(26,27)20-12-5-17(6-13-20)7-14-21(25)23-18-8-10-19(11-9-18)24-15-3-2-4-16-24/h5-6,8-13,22H,2-4,7,14-16H2,1H3,(H,23,25)
InChIKeyFXQDIYYTMNSMIE-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide (CID 46521495) is 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is FXQDIYYTMNSMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-22-28(26,27)20-12-5-17(6-13-20)7-14-21(25)23-18-8-10-19(11-9-18)24-15-3-2-4-16-24/h5-6,8-13,22H,2-4,7,14-16H2,1H3,(H,23,25).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 46521495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).