N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide

C21H28N2O2S — CID 59537510

IUPACN-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)CCC1CCCC1)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c22-20(18-11-3-1-4-12-18)21(19-13-5-2-6-14-19)23-26(24,25)16-15-17-9-7-8-10-17/h1-6,11-14,17,20-21,23H,7-10,15-16,22H2
InChIKeyRFFXJUZEYXMFSK-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.93
Rot. Bonds8

About N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide

N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide (PubChem CID 59537510) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide
PubChem CID59537510
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)CCC1CCCC1)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c22-20(18-11-3-1-4-12-18)21(19-13-5-2-6-14-19)23-26(24,25)16-15-17-9-7-8-10-17/h1-6,11-14,17,20-21,23H,7-10,15-16,22H2
InChIKeyRFFXJUZEYXMFSK-UHFFFAOYSA-N
XLogP3.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide (CID 59537510) is N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)CCC1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide?
The InChIKey is RFFXJUZEYXMFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c22-20(18-11-3-1-4-12-18)21(19-13-5-2-6-14-19)23-26(24,25)16-15-17-9-7-8-10-17/h1-6,11-14,17,20-21,23H,7-10,15-16,22H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide is sourced from PubChem (CID 59537510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).