N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

C14H26F3NO3S — CID 53330516

IUPACN-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C)CCNC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C14H26F3NO3S/c1-12(2,3)8-9-18-11(19)13(4,5)22(20,21)10-6-7-14(15,16)17/h6-10H2,1-5H3,(H,18,19)
InChIKeyVHNOBHQEABGDHR-UHFFFAOYSA-N
MW345.43 g/mol
LogP3.07
Rot. Bonds7

About N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 53330516) has the molecular formula C14H26F3NO3S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID53330516
Molecular FormulaC14H26F3NO3S
Molecular Weight345.43 g/mol
Exact Mass345.16
IUPAC NameN-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C)CCNC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C14H26F3NO3S/c1-12(2,3)8-9-18-11(19)13(4,5)22(20,21)10-6-7-14(15,16)17/h6-10H2,1-5H3,(H,18,19)
InChIKeyVHNOBHQEABGDHR-UHFFFAOYSA-N
XLogP3.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5,5,6,6,6-pentafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanamide
CID 57788403
5,5,6,6,6-pentafluoro-2-methyl-N-propyl-2-(3,3,3-trifluoropropylsulfonyl)hexanamide
CID 57788407
N-[5,5-bis(trifluoromethylsulfonyl)pentyl]-2,2-dimethylbutanamide
CID 89707087
N-[3,3-bis(trifluoromethylsulfonyl)propyl]-2,2-dimethylbutanamide
CID 89707091
2,2-dimethyl-N-[1,1,1-trifluoro-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707107
2,2-dimethyl-N-[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707108
N-[4,4-bis(trifluoromethylsulfonyl)butan-2-yl]-2,2-dimethylbutanamide
CID 89707109
2,2,2-trifluoro-N-(2-methyl-2-methylsulfonylbutyl)acetamide
CID 117953814
2,2,2-trifluoro-N-(4-methylsulfonylbutyl)acetamide
CID 129217708
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
CID 134298731

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 53330516) is N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(C)CCNC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is VHNOBHQEABGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO3S/c1-12(2,3)8-9-18-11(19)13(4,5)22(20,21)10-6-7-14(15,16)17/h6-10H2,1-5H3,(H,18,19).
What are the key properties of N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 345.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 53330516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).