N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide

C27H39N3O2S — CID 44526710

IUPACN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)cc1
InChIInChI=1S/C27H39N3O2S/c1-22(2)24-9-11-27(12-10-24)33(31,32)28-25-8-6-7-23(21-25)13-18-29-19-14-26(15-20-29)30-16-4-3-5-17-30/h6-12,21-22,26,28H,3-5,13-20H2,1-2H3
InChIKeySAHRGLCEKJVPRI-UHFFFAOYSA-N
MW469.70 g/mol
LogP5.10
Rot. Bonds8

About N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide

N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 44526710) has the molecular formula C27H39N3O2S and a molecular weight of 469.70 g/mol. Its IUPAC name is N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID44526710
Molecular FormulaC27H39N3O2S
Molecular Weight469.70 g/mol
Exact Mass469.28
IUPAC NameN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)cc1
InChIInChI=1S/C27H39N3O2S/c1-22(2)24-9-11-27(12-10-24)33(31,32)28-25-8-6-7-23(21-25)13-18-29-19-14-26(15-20-29)30-16-4-3-5-17-30/h6-12,21-22,26,28H,3-5,13-20H2,1-2H3
InChIKeySAHRGLCEKJVPRI-UHFFFAOYSA-N
XLogP5.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.70
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide (CID 44526710) is N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is SAHRGLCEKJVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2S/c1-22(2)24-9-11-27(12-10-24)33(31,32)28-25-8-6-7-23(21-25)13-18-29-19-14-26(15-20-29)30-16-4-3-5-17-30/h6-12,21-22,26,28H,3-5,13-20H2,1-2H3.
What are the key properties of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 469.70 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 44526710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).