N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide

C17H17F3N2O3S — CID 113147087

IUPACN-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
SMILESCN(C(=O)CCN(c1ccc(F)c(F)c1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-21(12-6-4-3-5-7-12)15(23)10-11-22(26(2,24)25)14-9-8-13(18)16(19)17(14)20/h3-9H,10-11H2,1-2H3
InChIKeyVVRIVESYQNBWBT-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.92
Rot. Bonds6

About N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide

N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113147087) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
PubChem CID113147087
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
SMILESCN(C(=O)CCN(c1ccc(F)c(F)c1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-21(12-6-4-3-5-7-12)15(23)10-11-22(26(2,24)25)14-9-8-13(18)16(19)17(14)20/h3-9H,10-11H2,1-2H3
InChIKeyVVRIVESYQNBWBT-UHFFFAOYSA-N
XLogP2.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 113147065
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
3-[cyclopentyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113137275
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
CID 113147062
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163
N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157523
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide (CID 113147087) is N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide is CN(C(=O)CCN(c1ccc(F)c(F)c1F)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is VVRIVESYQNBWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-21(12-6-4-3-5-7-12)15(23)10-11-22(26(2,24)25)14-9-8-13(18)16(19)17(14)20/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 386.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113147087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).