N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane

C27H30F3N3O4S — CID 158852319

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane
SMILESC.CC(C)[C@H](NC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C26H26F3N3O4S.CH4/c1-16(2)23(24(30)33)32-25(34)22-13-6-5-12-21(22)20-11-4-3-8-17(20)15-31-37(35,36)19-10-7-9-18(14-19)26(27,28)29;/h3-14,16,23,31H,15H2,1-2H3,(H2,30,33)(H,32,34);1H4/t23-;/m0./s1
InChIKeyIZPOTTGBJPJMMT-BQAIUKQQSA-N
MW549.62 g/mol
LogP4.73
Rot. Bonds9

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane (PubChem CID 158852319) has the molecular formula C27H30F3N3O4S and a molecular weight of 549.62 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane
PubChem CID158852319
Molecular FormulaC27H30F3N3O4S
Molecular Weight549.62 g/mol
Exact Mass549.19
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane
SMILESC.CC(C)[C@H](NC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C26H26F3N3O4S.CH4/c1-16(2)23(24(30)33)32-25(34)22-13-6-5-12-21(22)20-11-4-3-8-17(20)15-31-37(35,36)19-10-7-9-18(14-19)26(27,28)29;/h3-14,16,23,31H,15H2,1-2H3,(H2,30,33)(H,32,34);1H4/t23-;/m0./s1
InChIKeyIZPOTTGBJPJMMT-BQAIUKQQSA-N
XLogP4.73
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.62
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773
(1,3-dioxoisoindol-2-yl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 42972090
N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
CID 56548673
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
(2S,3R)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2341191
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane (CID 158852319) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane is C.CC(C)[C@H](NC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane?
The InChIKey is IZPOTTGBJPJMMT-BQAIUKQQSA-N. The full InChI is InChI=1S/C26H26F3N3O4S.CH4/c1-16(2)23(24(30)33)32-25(34)22-13-6-5-12-21(22)20-11-4-3-8-17(20)15-31-37(35,36)19-10-7-9-18(14-19)26(27,28)29;/h3-14,16,23,31H,15H2,1-2H3,(H2,30,33)(H,32,34);1H4/t23-;/m0./s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane has a molecular weight of 549.62 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[2-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzamide;methane is sourced from PubChem (CID 158852319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).