N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

C16H28F3NO3S — CID 53330861

IUPACN-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(=O)NCCC1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C16H28F3NO3S/c1-15(2,24(22,23)12-6-10-16(17,18)19)14(21)20-11-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyVNJSFBBBBFMTOQ-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.61
Rot. Bonds8

About N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 53330861) has the molecular formula C16H28F3NO3S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID53330861
Molecular FormulaC16H28F3NO3S
Molecular Weight371.47 g/mol
Exact Mass371.17
IUPAC NameN-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(=O)NCCC1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C16H28F3NO3S/c1-15(2,24(22,23)12-6-10-16(17,18)19)14(21)20-11-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyVNJSFBBBBFMTOQ-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 53330861) is N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(C(=O)NCCC1CCCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is VNJSFBBBBFMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO3S/c1-15(2,24(22,23)12-6-10-16(17,18)19)14(21)20-11-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 371.47 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 53330861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).