N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide

C23H32N2O3S — CID 67870487

IUPACN-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide
SMILESCCC(CCNS(=O)(=O)Cc1ccccc1)NC1CCc2cccc(OC)c2C1
InChIInChI=1S/C23H32N2O3S/c1-3-20(14-15-24-29(26,27)17-18-8-5-4-6-9-18)25-21-13-12-19-10-7-11-23(28-2)22(19)16-21/h4-11,20-21,24-25H,3,12-17H2,1-2H3
InChIKeyLMYZLUVDXTZDSA-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.43
Rot. Bonds10

About N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide

N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide (PubChem CID 67870487) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide
PubChem CID67870487
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide
SMILESCCC(CCNS(=O)(=O)Cc1ccccc1)NC1CCc2cccc(OC)c2C1
InChIInChI=1S/C23H32N2O3S/c1-3-20(14-15-24-29(26,27)17-18-8-5-4-6-9-18)25-21-13-12-19-10-7-11-23(28-2)22(19)16-21/h4-11,20-21,24-25H,3,12-17H2,1-2H3
InChIKeyLMYZLUVDXTZDSA-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide (CID 67870487) is N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide is CCC(CCNS(=O)(=O)Cc1ccccc1)NC1CCc2cccc(OC)c2C1.
What is the InChIKey of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide?
The InChIKey is LMYZLUVDXTZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-3-20(14-15-24-29(26,27)17-18-8-5-4-6-9-18)25-21-13-12-19-10-7-11-23(28-2)22(19)16-21/h4-11,20-21,24-25H,3,12-17H2,1-2H3.
What are the key properties of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide?
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 67870487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).