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

C14H17F3N2O3S — CID 113145210

IUPACN-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O3S/c1-23(21,22)19(9-8-13(20)18-10-6-7-10)12-5-3-2-4-11(12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyHGMOEPYZHWQBHU-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.14
Rot. Bonds6

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

N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide (PubChem CID 113145210) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
PubChem CID113145210
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC NameN-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O3S/c1-23(21,22)19(9-8-13(20)18-10-6-7-10)12-5-3-2-4-11(12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyHGMOEPYZHWQBHU-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
CID 112731367

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide (CID 113145210) is N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide?
The InChIKey is HGMOEPYZHWQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-23(21,22)19(9-8-13(20)18-10-6-7-10)12-5-3-2-4-11(12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide?
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide has a molecular weight of 350.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 113145210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).