3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide

C17H25F3N2O3S — CID 113145294

IUPAC3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25F3N2O3S/c1-4-11-21(12-5-2)16(23)10-13-22(26(3,24)25)15-8-6-14(7-9-15)17(18,19)20/h6-9H,4-5,10-13H2,1-3H3
InChIKeySHDJTQQVYVDINF-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.51
Rot. Bonds9

About 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide

3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide (PubChem CID 113145294) has the molecular formula C17H25F3N2O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
PubChem CID113145294
Molecular FormulaC17H25F3N2O3S
Molecular Weight394.46 g/mol
Exact Mass394.15
IUPAC Name3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25F3N2O3S/c1-4-11-21(12-5-2)16(23)10-13-22(26(3,24)25)15-8-6-14(7-9-15)17(18,19)20/h6-9H,4-5,10-13H2,1-3H3
InChIKeySHDJTQQVYVDINF-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145264
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
CID 113070952
N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145297
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
CID 113135931

Frequently Asked Questions

What is the IUPAC name of 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide?
The IUPAC name of 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide (CID 113145294) is 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide?
The InChIKey is SHDJTQQVYVDINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3S/c1-4-11-21(12-5-2)16(23)10-13-22(26(3,24)25)15-8-6-14(7-9-15)17(18,19)20/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide?
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide has a molecular weight of 394.46 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide is sourced from PubChem (CID 113145294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).