N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

C19H20ClF3N2O3S — CID 2974828

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H20ClF3N2O3S/c1-11-5-7-15(9-12(11)2)25(29(4,27)28)13(3)18(26)24-17-10-14(19(21,22)23)6-8-16(17)20/h5-10,13H,1-4H3,(H,24,26)
InChIKeyGMAIJBSKQWEBFV-UHFFFAOYSA-N
MW448.89 g/mol
LogP4.77
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 2974828) has the molecular formula C19H20ClF3N2O3S and a molecular weight of 448.89 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID2974828
Molecular FormulaC19H20ClF3N2O3S
Molecular Weight448.89 g/mol
Exact Mass448.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H20ClF3N2O3S/c1-11-5-7-15(9-12(11)2)25(29(4,27)28)13(3)18(26)24-17-10-14(19(21,22)23)6-8-16(17)20/h5-10,13H,1-4H3,(H,24,26)
InChIKeyGMAIJBSKQWEBFV-UHFFFAOYSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2235348
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)propanamide
CID 2227673
N-(2-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666717
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 2973501
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 2974828) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is GMAIJBSKQWEBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O3S/c1-11-5-7-15(9-12(11)2)25(29(4,27)28)13(3)18(26)24-17-10-14(19(21,22)23)6-8-16(17)20/h5-10,13H,1-4H3,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 448.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2974828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).