3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

C16H23F3N2O3S — CID 113141213

IUPAC3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)CCN(CCC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23F3N2O3S/c1-12(2)8-10-21(25(3,23)24)11-9-15(22)20-14-6-4-13(5-7-14)16(17,18)19/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyNXOUXTMOHPJSFN-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.34
Rot. Bonds8

About 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 113141213) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID113141213
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)CCN(CCC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23F3N2O3S/c1-12(2)8-10-21(25(3,23)24)11-9-15(22)20-14-6-4-13(5-7-14)16(17,18)19/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyNXOUXTMOHPJSFN-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136934
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 21373045
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183

Frequently Asked Questions

What is the IUPAC name of 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 113141213) is 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(C)CCN(CCC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NXOUXTMOHPJSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-12(2)8-10-21(25(3,23)24)11-9-15(22)20-14-6-4-13(5-7-14)16(17,18)19/h4-7,12H,8-11H2,1-3H3,(H,20,22).
What are the key properties of 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 380.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113141213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).