N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide

C24H30Cl2N2O3S — CID 57467247

IUPACN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(CCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2)S(=O)(=O)CC1CC1
InChIInChI=1S/C24H30Cl2N2O3S/c1-28(32(29,30)15-16-2-3-16)10-11-31-19-7-5-18-6-9-24(27)21(20(18)14-19)12-17-4-8-22(25)23(26)13-17/h4-5,7-8,13-14,16,21,24H,2-3,6,9-12,15,27H2,1H3
InChIKeyFIWYYRPORFLQIE-UHFFFAOYSA-N
MW497.49 g/mol
LogP4.64
Rot. Bonds9

About N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide (PubChem CID 57467247) has the molecular formula C24H30Cl2N2O3S and a molecular weight of 497.49 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
PubChem CID57467247
Molecular FormulaC24H30Cl2N2O3S
Molecular Weight497.49 g/mol
Exact Mass496.14
IUPAC NameN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(CCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2)S(=O)(=O)CC1CC1
InChIInChI=1S/C24H30Cl2N2O3S/c1-28(32(29,30)15-16-2-3-16)10-11-31-19-7-5-18-6-9-24(27)21(20(18)14-19)12-17-4-8-22(25)23(26)13-17/h4-5,7-8,13-14,16,21,24H,2-3,6,9-12,15,27H2,1H3
InChIKeyFIWYYRPORFLQIE-UHFFFAOYSA-N
XLogP4.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide
CID 145949219
N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]butane-1-sulfonamide
CID 145951413
N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
CID 145953888
N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide
CID 145956254
N-[2-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 145957869
N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 145962483
N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]thiophene-2-sulfonamide
CID 145972216
N-[2-[[(7S,8R)-7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 145974084
1-[(3-Chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46870538
1-[(3-Chlorophenyl)methyl]-7-(1-propylsulfonylazetidin-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46870633
N-[2-[[7-amino-8-[(3-chloro-4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 57467254
1-cyclopropyl-N-[2-[[8-[(3,4-dichlorophenyl)methyl]-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylmethanesulfonamide
CID 57467256

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide (CID 57467247) is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide is CN(CCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2)S(=O)(=O)CC1CC1.
What is the InChIKey of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The InChIKey is FIWYYRPORFLQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3S/c1-28(32(29,30)15-16-2-3-16)10-11-31-19-7-5-18-6-9-24(27)21(20(18)14-19)12-17-4-8-22(25)23(26)13-17/h4-5,7-8,13-14,16,21,24H,2-3,6,9-12,15,27H2,1H3.
What are the key properties of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide has a molecular weight of 497.49 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide is sourced from PubChem (CID 57467247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).