N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide

C24H35N3O2S — CID 23285271

IUPACN-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
SMILESCCNC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H35N3O2S/c1-3-25-23-15-18-27(19-16-23)17-14-22(21-10-6-4-7-11-21)20-26(2)30(28,29)24-12-8-5-9-13-24/h4-13,22-23,25H,3,14-20H2,1-2H3
InChIKeyFFEDCHGHDYQTEH-UHFFFAOYSA-N
MW429.63 g/mol
LogP3.55
Rot. Bonds10

About N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide

N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide (PubChem CID 23285271) has the molecular formula C24H35N3O2S and a molecular weight of 429.63 g/mol. Its IUPAC name is N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
PubChem CID23285271
Molecular FormulaC24H35N3O2S
Molecular Weight429.63 g/mol
Exact Mass429.24
IUPAC NameN-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
SMILESCCNC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H35N3O2S/c1-3-25-23-15-18-27(19-16-23)17-14-22(21-10-6-4-7-11-21)20-26(2)30(28,29)24-12-8-5-9-13-24/h4-13,22-23,25H,3,14-20H2,1-2H3
InChIKeyFFEDCHGHDYQTEH-UHFFFAOYSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide (CID 23285271) is N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide is CCNC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide?
The InChIKey is FFEDCHGHDYQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2S/c1-3-25-23-15-18-27(19-16-23)17-14-22(21-10-6-4-7-11-21)20-26(2)30(28,29)24-12-8-5-9-13-24/h4-13,22-23,25H,3,14-20H2,1-2H3.
What are the key properties of N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide?
N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide has a molecular weight of 429.63 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 23285271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).