N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide

C28H38N2O3S — CID 57467258

IUPACN-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2)S(=O)(=O)CC1CC1
InChIInChI=1S/C28H38N2O3S/c1-29(34(31,32)21-23-9-10-23)17-18-33-25-13-11-24-12-14-28(30-15-5-6-16-30)27(26(24)20-25)19-22-7-3-2-4-8-22/h2-4,7-8,11,13,20,23,27-28H,5-6,9-10,12,14-19,21H2,1H3
InChIKeyZJCVLYRNWRBTDY-UHFFFAOYSA-N
MW482.69 g/mol
LogP4.47
Rot. Bonds10

About N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide

N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide (PubChem CID 57467258) has the molecular formula C28H38N2O3S and a molecular weight of 482.69 g/mol. Its IUPAC name is N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
PubChem CID57467258
Molecular FormulaC28H38N2O3S
Molecular Weight482.69 g/mol
Exact Mass482.26
IUPAC NameN-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2)S(=O)(=O)CC1CC1
InChIInChI=1S/C28H38N2O3S/c1-29(34(31,32)21-23-9-10-23)17-18-33-25-13-11-24-12-14-28(30-15-5-6-16-30)27(26(24)20-25)19-22-7-3-2-4-8-22/h2-4,7-8,11,13,20,23,27-28H,5-6,9-10,12,14-19,21H2,1H3
InChIKeyZJCVLYRNWRBTDY-UHFFFAOYSA-N
XLogP4.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.69
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide (CID 57467258) is N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide is CN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2)S(=O)(=O)CC1CC1.
What is the InChIKey of N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The InChIKey is ZJCVLYRNWRBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3S/c1-29(34(31,32)21-23-9-10-23)17-18-33-25-13-11-24-12-14-28(30-15-5-6-16-30)27(26(24)20-25)19-22-7-3-2-4-8-22/h2-4,7-8,11,13,20,23,27-28H,5-6,9-10,12,14-19,21H2,1H3.
What are the key properties of N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide?
N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide has a molecular weight of 482.69 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide is sourced from PubChem (CID 57467258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).