1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine

C22H27ClN2O3S — CID 46870538

IUPAC1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2ccc(OCCN3CCCS3(=O)=O)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O3S/c23-18-4-1-3-16(13-18)14-21-20-15-19(7-5-17(20)6-8-22(21)24)28-11-10-25-9-2-12-29(25,26)27/h1,3-5,7,13,15,21-22H,2,6,8-12,14,24H2
InChIKeyPLNRNWCBXKAVPU-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.35
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine

1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 46870538) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID46870538
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2ccc(OCCN3CCCS3(=O)=O)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O3S/c23-18-4-1-3-16(13-18)14-21-20-15-19(7-5-17(20)6-8-22(21)24)28-11-10-25-9-2-12-29(25,26)27/h1,3-5,7,13,15,21-22H,2,6,8-12,14,24H2
InChIKeyPLNRNWCBXKAVPU-UHFFFAOYSA-N
XLogP3.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 145950133
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]propane-1-sulfonamide
CID 145974084
1-[(3-Chlorophenyl)methyl]-7-(1-propylsulfonylazetidin-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46870633
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467247
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 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 46870538) is 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine is NC1CCc2ccc(OCCN3CCCS3(=O)=O)cc2C1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PLNRNWCBXKAVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c23-18-4-1-3-16(13-18)14-21-20-15-19(7-5-17(20)6-8-22(21)24)28-11-10-25-9-2-12-29(25,26)27/h1,3-5,7,13,15,21-22H,2,6,8-12,14,24H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 434.99 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 46870538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).