N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide

C15H21F3N2O3S — CID 113145244

IUPACN-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
SMILESCCC(C)NC(=O)CCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C15H21F3N2O3S/c1-4-11(2)19-14(21)8-9-20(24(3,22)23)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,21)
InChIKeyABVHZXUONBXODN-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.78
Rot. Bonds7

About N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide

N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 113145244) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID113145244
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
SMILESCCC(C)NC(=O)CCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C15H21F3N2O3S/c1-4-11(2)19-14(21)8-9-20(24(3,22)23)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,21)
InChIKeyABVHZXUONBXODN-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
N-(2,4-dimethylpentan-3-yl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286775
N-[1-(4-fluorophenyl)ethyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286813
N-[(1R)-1-(4-methylphenyl)ethyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 99132434
3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145264
N-[(4-bromophenyl)methyl]-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 125108134
(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanoyl]amino]butanamide
CID 125072369
N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(3-methylphenyl)methyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 100539740
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(3-methylphenyl)methyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 125096150
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
CID 113146090
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide (CID 113145244) is N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide is CCC(C)NC(=O)CCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is ABVHZXUONBXODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-4-11(2)19-14(21)8-9-20(24(3,22)23)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 366.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 113145244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).