4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C18H19F3N2O2S — CID 71168865

IUPAC4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)S(=O)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O2S/c1-12(2)26(25)23-16-9-5-14(6-10-16)17(24)22-11-13-3-7-15(8-4-13)18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyGVZVNSUPUWRIQA-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.12
Rot. Bonds6

About 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 71168865) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID71168865
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)S(=O)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O2S/c1-12(2)26(25)23-16-9-5-14(6-10-16)17(24)22-11-13-3-7-15(8-4-13)18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyGVZVNSUPUWRIQA-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127042123
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
4-fluoro-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 18276547

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 71168865) is 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CC(C)S(=O)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is GVZVNSUPUWRIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-12(2)26(25)23-16-9-5-14(6-10-16)17(24)22-11-13-3-7-15(8-4-13)18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24).
What are the key properties of 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 384.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 71168865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).