2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide

C13H15F3N2O3S — CID 15118088

IUPAC2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
SMILESNC(=O)CN(C1CC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)10-3-1-2-9(6-10)8-22(20,21)18(7-12(17)19)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H2,17,19)
InChIKeyTZRKNHJGYKCLMJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.48
Rot. Bonds6

About 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide

2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide (PubChem CID 15118088) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
PubChem CID15118088
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Name2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
SMILESNC(=O)CN(C1CC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)10-3-1-2-9(6-10)8-22(20,21)18(7-12(17)19)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H2,17,19)
InChIKeyTZRKNHJGYKCLMJ-UHFFFAOYSA-N
XLogP1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide
CID 19837764
2-[oxiran-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118290
2-[cyanomethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118474
2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118289
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
CID 144887966
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
CID 15118329
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 119991751
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
CID 60950870
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The IUPAC name of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide (CID 15118088) is 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The canonical SMILES for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide is NC(=O)CN(C1CC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The InChIKey is TZRKNHJGYKCLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)10-3-1-2-9(6-10)8-22(20,21)18(7-12(17)19)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H2,17,19).
What are the key properties of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide has a molecular weight of 336.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide is sourced from PubChem (CID 15118088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).