2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide

C15H19F3N2O5S — CID 54324465

IUPAC2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide
SMILESCN(C1c2cc(NC(=O)C(F)(F)F)ccc2OC(C)(C)C1O)S(C)(=O)=O
InChIInChI=1S/C15H19F3N2O5S/c1-14(2)12(21)11(20(3)26(4,23)24)9-7-8(5-6-10(9)25-14)19-13(22)15(16,17)18/h5-7,11-12,21H,1-4H3,(H,19,22)
InChIKeySTXUQNFEGNKOOY-UHFFFAOYSA-N
MW396.39 g/mol
LogP1.65
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide

2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide (PubChem CID 54324465) has the molecular formula C15H19F3N2O5S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide
PubChem CID54324465
Molecular FormulaC15H19F3N2O5S
Molecular Weight396.39 g/mol
Exact Mass396.10
IUPAC Name2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide
SMILESCN(C1c2cc(NC(=O)C(F)(F)F)ccc2OC(C)(C)C1O)S(C)(=O)=O
InChIInChI=1S/C15H19F3N2O5S/c1-14(2)12(21)11(20(3)26(4,23)24)9-7-8(5-6-10(9)25-14)19-13(22)15(16,17)18/h5-7,11-12,21H,1-4H3,(H,19,22)
InChIKeySTXUQNFEGNKOOY-UHFFFAOYSA-N
XLogP1.65
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide (CID 54324465) is 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide is CN(C1c2cc(NC(=O)C(F)(F)F)ccc2OC(C)(C)C1O)S(C)(=O)=O.
What is the InChIKey of 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide?
The InChIKey is STXUQNFEGNKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O5S/c1-14(2)12(21)11(20(3)26(4,23)24)9-7-8(5-6-10(9)25-14)19-13(22)15(16,17)18/h5-7,11-12,21H,1-4H3,(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide?
2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-hydroxy-2,2-dimethyl-4-[methyl(methylsulfonyl)amino]-3,4-dihydrochromen-6-yl]acetamide is sourced from PubChem (CID 54324465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).