(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide

C24H20F4N2O4S — CID 66637478

IUPAC(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESO=C([C@H](O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CS(=O)(=O)C2
InChIInChI=1S/C24H20F4N2O4S/c25-19-5-1-15(2-6-19)22(31)23(32)30(10-9-20-7-4-18(12-29-20)24(26,27)28)21-8-3-16-13-35(33,34)14-17(16)11-21/h1-8,11-12,22,31H,9-10,13-14H2/t22-/m1/s1
InChIKeyHPCPOHFASHXJDJ-JOCHJYFZSA-N
MW508.49 g/mol
LogP3.98
Rot. Bonds6

About (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide

(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 66637478) has the molecular formula C24H20F4N2O4S and a molecular weight of 508.49 g/mol. Its IUPAC name is (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
PubChem CID66637478
Molecular FormulaC24H20F4N2O4S
Molecular Weight508.49 g/mol
Exact Mass508.11
IUPAC Name(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESO=C([C@H](O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CS(=O)(=O)C2
InChIInChI=1S/C24H20F4N2O4S/c25-19-5-1-15(2-6-19)22(31)23(32)30(10-9-20-7-4-18(12-29-20)24(26,27)28)21-8-3-16-13-35(33,34)14-17(16)11-21/h1-8,11-12,22,31H,9-10,13-14H2/t22-/m1/s1
InChIKeyHPCPOHFASHXJDJ-JOCHJYFZSA-N
XLogP3.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (CID 66637478) is (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is O=C([C@H](O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CS(=O)(=O)C2.
What is the InChIKey of (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is HPCPOHFASHXJDJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20F4N2O4S/c25-19-5-1-15(2-6-19)22(31)23(32)30(10-9-20-7-4-18(12-29-20)24(26,27)28)21-8-3-16-13-35(33,34)14-17(16)11-21/h1-8,11-12,22,31H,9-10,13-14H2/t22-/m1/s1.
What are the key properties of (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 508.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 66637478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).