2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide

C32H39N3O3S — CID 91051221

IUPAC2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C32H39N3O3S/c1-24(25-12-16-30(17-13-25)39(37,38)34-29-14-15-29)32(36)33-28-18-21-35(22-19-28)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,24,28-29,31,34H,14-15,18-23H2,1H3,(H,33,36)
InChIKeyPYWKCRBIDKDLOQ-UHFFFAOYSA-N
MW545.75 g/mol
LogP5.03
Rot. Bonds11

About 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide

2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide (PubChem CID 91051221) has the molecular formula C32H39N3O3S and a molecular weight of 545.75 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
PubChem CID91051221
Molecular FormulaC32H39N3O3S
Molecular Weight545.75 g/mol
Exact Mass545.27
IUPAC Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C32H39N3O3S/c1-24(25-12-16-30(17-13-25)39(37,38)34-29-14-15-29)32(36)33-28-18-21-35(22-19-28)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,24,28-29,31,34H,14-15,18-23H2,1H3,(H,33,36)
InChIKeyPYWKCRBIDKDLOQ-UHFFFAOYSA-N
XLogP5.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.75
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide with MolForge

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Related Compounds

N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91044067
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide
CID 91262945
N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
CID 23570398
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
N-[1-[3,3-bis(4-fluorophenyl)propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91401261
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 25206564
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide (CID 91051221) is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide is CC(C(=O)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide?
The InChIKey is PYWKCRBIDKDLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O3S/c1-24(25-12-16-30(17-13-25)39(37,38)34-29-14-15-29)32(36)33-28-18-21-35(22-19-28)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,24,28-29,31,34H,14-15,18-23H2,1H3,(H,33,36).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide?
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide has a molecular weight of 545.75 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91051221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).