2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C18H19F3N2O3S2 — CID 100563559

IUPAC2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S2/c1-23(28(25,26)16-8-6-15(27-2)7-9-16)12-17(24)22-11-13-4-3-5-14(10-13)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyVVLWUBKABJNBLN-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.36
Rot. Bonds7

About 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 100563559) has the molecular formula C18H19F3N2O3S2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID100563559
Molecular FormulaC18H19F3N2O3S2
Molecular Weight432.49 g/mol
Exact Mass432.08
IUPAC Name2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S2/c1-23(28(25,26)16-8-6-15(27-2)7-9-16)12-17(24)22-11-13-4-3-5-14(10-13)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyVVLWUBKABJNBLN-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100594636
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 100758181
N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
CID 46415351
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
3-[[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]methyl]-N-ethylbenzamide
CID 55848509
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100676875
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100764195
2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfonylacetic acid
CID 3767269
2-[N-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 91800779

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 100563559) is 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VVLWUBKABJNBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S2/c1-23(28(25,26)16-8-6-15(27-2)7-9-16)12-17(24)22-11-13-4-3-5-14(10-13)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 432.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 100563559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).