3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C14H19F3N2O3S — CID 113136185

IUPAC3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(CCC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-10(2)19(23(3,21)22)8-7-13(20)18-12-6-4-5-11(9-12)14(15,16)17/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)
InChIKeyXUQAUWMHYVDBQW-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.70
Rot. Bonds6

About 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 113136185) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID113136185
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC Name3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(CCC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-10(2)19(23(3,21)22)8-7-13(20)18-12-6-4-5-11(9-12)14(15,16)17/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)
InChIKeyXUQAUWMHYVDBQW-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912610
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
methyl 3-[3-[methylsulfonyl(propan-2-yl)amino]propanoylamino]benzoate
CID 113136192
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 113136185) is 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)N(CCC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XUQAUWMHYVDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-10(2)19(23(3,21)22)8-7-13(20)18-12-6-4-5-11(9-12)14(15,16)17/h4-6,9-10H,7-8H2,1-3H3,(H,18,20).
What are the key properties of 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 352.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113136185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).