2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide

C13H16ClF3N2O3S — CID 15118284

IUPAC2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O3S/c1-8(2)19(6-12(18)20)23(21,22)7-9-3-4-10(5-11(9)14)13(15,16)17/h3-5,8H,6-7H2,1-2H3,(H2,18,20)
InChIKeyDYZMQDWTNDJKRJ-UHFFFAOYSA-N
MW372.80 g/mol
LogP2.38
Rot. Bonds6

About 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide

2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide (PubChem CID 15118284) has the molecular formula C13H16ClF3N2O3S and a molecular weight of 372.80 g/mol. Its IUPAC name is 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide
PubChem CID15118284
Molecular FormulaC13H16ClF3N2O3S
Molecular Weight372.80 g/mol
Exact Mass372.05
IUPAC Name2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O3S/c1-8(2)19(6-12(18)20)23(21,22)7-9-3-4-10(5-11(9)14)13(15,16)17/h3-5,8H,6-7H2,1-2H3,(H2,18,20)
InChIKeyDYZMQDWTNDJKRJ-UHFFFAOYSA-N
XLogP2.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide (CID 15118284) is 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide?
The InChIKey is DYZMQDWTNDJKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3S/c1-8(2)19(6-12(18)20)23(21,22)7-9-3-4-10(5-11(9)14)13(15,16)17/h3-5,8H,6-7H2,1-2H3,(H2,18,20).
What are the key properties of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide?
2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide has a molecular weight of 372.80 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 15118284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).