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

C15H26F3NO3S — CID 53330349

IUPACN-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(=O)NCC1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C15H26F3NO3S/c1-14(2,23(21,22)10-6-9-15(16,17)18)13(20)19-11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyDWBHDRHANYPWJL-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.22
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 53330349) has the molecular formula C15H26F3NO3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID53330349
Molecular FormulaC15H26F3NO3S
Molecular Weight357.44 g/mol
Exact Mass357.16
IUPAC NameN-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(=O)NCC1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C15H26F3NO3S/c1-14(2,23(21,22)10-6-9-15(16,17)18)13(20)19-11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyDWBHDRHANYPWJL-UHFFFAOYSA-N
XLogP3.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 53330349) is N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(C(=O)NCC1CCCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is DWBHDRHANYPWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO3S/c1-14(2,23(21,22)10-6-9-15(16,17)18)13(20)19-11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 357.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 53330349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).