N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C18H21F3N2O2S — CID 120895456

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O2S/c19-18(20,21)17-8-4-7-16(13-17)14-26(24,25)23(12-10-22)11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14,22H2
InChIKeyDPOGBMYHVADQAX-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.04
Rot. Bonds8

About N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 120895456) has the molecular formula C18H21F3N2O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID120895456
Molecular FormulaC18H21F3N2O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O2S/c19-18(20,21)17-8-4-7-16(13-17)14-26(24,25)23(12-10-22)11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14,22H2
InChIKeyDPOGBMYHVADQAX-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 120877130
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557
N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895321
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 119991751
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
2-[cyanomethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118474
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121126866
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(cyanomethyl)-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616014

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 120895456) is N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is NCCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DPOGBMYHVADQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2S/c19-18(20,21)17-8-4-7-16(13-17)14-26(24,25)23(12-10-22)11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14,22H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120895456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).