1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

About 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (PubChem CID 57471399) has the molecular formula C24H30F2N2O3S and a molecular weight of 464.58 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound Name	1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
PubChem CID	57471399
Molecular Formula	C24H30F2N2O3S
Molecular Weight	464.58 g/mol
Exact Mass	464.19
IUPAC Name	1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILES	CNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cc(F)cc(F)c1
InChI	InChI=1S/C24H30F2N2O3S/c1-27-24-7-5-18-4-6-21(31-9-8-28-32(29,30)15-16-2-3-16)14-22(18)23(24)12-17-10-19(25)13-20(26)11-17/h4,6,10-11,13-14,16,23-24,27-28H,2-3,5,7-9,12,15H2,1H3
InChIKey	AZXWLSKDDWEMOJ-UHFFFAOYSA-N
XLogP	3.53
TPSA	67.43 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	10
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.58
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?

The IUPAC name of 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (CID 57471399) is 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.

What is the SMILES notation for 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?

The canonical SMILES for 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is CNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cc(F)cc(F)c1.

What is the InChIKey of 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?

The InChIKey is AZXWLSKDDWEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O3S/c1-27-24-7-5-18-4-6-21(31-9-8-28-32(29,30)15-16-2-3-16)14-22(18)23(24)12-17-10-19(25)13-20(26)11-17/h4,6,10-11,13-14,16,23-24,27-28H,2-3,5,7-9,12,15H2,1H3.

What are the key properties of 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?

1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide has a molecular weight of 464.58 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[2-[[8-[(3,5-difluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 57471399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).