(S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide

C18H21F6N3OS — CID 176901064

IUPAC(S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide
SMILESCN([C@H](c1ccc(-c2nc(C(F)(F)F)cn2C)cc1)C(F)(F)F)[S@@](=O)C(C)(C)C
InChIInChI=1S/C18H21F6N3OS/c1-16(2,3)29(28)27(5)14(18(22,23)24)11-6-8-12(9-7-11)15-25-13(10-26(15)4)17(19,20)21/h6-10,14H,1-5H3/t14-,29+/m1/s1
InChIKeyYKQUIZSBFZHFQM-ONSXPEOJSA-N
MW441.44 g/mol
LogP5.10
Rot. Bonds4

About (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide

(S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide (PubChem CID 176901064) has the molecular formula C18H21F6N3OS and a molecular weight of 441.44 g/mol. Its IUPAC name is (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide
PubChem CID176901064
Molecular FormulaC18H21F6N3OS
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name(S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide
SMILESCN([C@H](c1ccc(-c2nc(C(F)(F)F)cn2C)cc1)C(F)(F)F)[S@@](=O)C(C)(C)C
InChIInChI=1S/C18H21F6N3OS/c1-16(2,3)29(28)27(5)14(18(22,23)24)11-6-8-12(9-7-11)15-25-13(10-26(15)4)17(19,20)21/h6-10,14H,1-5H3/t14-,29+/m1/s1
InChIKeyYKQUIZSBFZHFQM-ONSXPEOJSA-N
XLogP5.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide (CID 176901064) is (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide is CN([C@H](c1ccc(-c2nc(C(F)(F)F)cn2C)cc1)C(F)(F)F)[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide?
The InChIKey is YKQUIZSBFZHFQM-ONSXPEOJSA-N. The full InChI is InChI=1S/C18H21F6N3OS/c1-16(2,3)29(28)27(5)14(18(22,23)24)11-6-8-12(9-7-11)15-25-13(10-26(15)4)17(19,20)21/h6-10,14H,1-5H3/t14-,29+/m1/s1.
What are the key properties of (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide?
(S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide has a molecular weight of 441.44 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N,2-dimethyl-N-[(1R)-2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 176901064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).