N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide

C15H18F3NO3S — CID 56793585

IUPACN-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NCC1CCC1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)10-23(21,22)13-6-4-11(5-7-13)8-14(20)19-9-12-2-1-3-12/h4-7,12H,1-3,8-10H2,(H,19,20)
InChIKeyDJGLUJWAZCOGCK-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.48
Rot. Bonds6

About N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide

N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide (PubChem CID 56793585) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
PubChem CID56793585
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC NameN-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NCC1CCC1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)10-23(21,22)13-6-4-11(5-7-13)8-14(20)19-9-12-2-1-3-12/h4-7,12H,1-3,8-10H2,(H,19,20)
InChIKeyDJGLUJWAZCOGCK-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide (CID 56793585) is N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide is O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
The InChIKey is DJGLUJWAZCOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)10-23(21,22)13-6-4-11(5-7-13)8-14(20)19-9-12-2-1-3-12/h4-7,12H,1-3,8-10H2,(H,19,20).
What are the key properties of N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide has a molecular weight of 349.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 56793585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).