2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide

C48H54F4N4O11S4 — CID 157275262

IUPAC2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(O)c1csc(S(N)(=O)=O)c1.COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)NS(=O)(=O)c2cc(C(C)(C)O)cs2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)O)ccn1
InChIInChI=1S/C24H26F2N2O5S2.C17H17F2NO3.C7H11NO3S2/c1-13(2)17-10-16(25)11-18(14-6-7-27-19(8-14)33-5)21(17)22(26)23(29)28-35(31,32)20-9-15(12-34-20)24(3,4)30;1-9(2)12-7-11(18)8-13(15(12)16(19)17(21)22)10-4-5-20-14(6-10)23-3;1-7(2,9)5-3-6(12-4-5)13(8,10)11/h6-13,22,30H,1-5H3,(H,28,29);4-9,16H,1-3H3,(H,21,22);3-4,9H,1-2H3,(H2,8,10,11)
InChIKeyAZAFKCQVYHIXHY-UHFFFAOYSA-N
MW1067.24 g/mol
LogP9.56
Rot. Bonds15

About 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide

2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide (PubChem CID 157275262) has the molecular formula C48H54F4N4O11S4 and a molecular weight of 1067.24 g/mol. Its IUPAC name is 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
PubChem CID157275262
Molecular FormulaC48H54F4N4O11S4
Molecular Weight1067.24 g/mol
Exact Mass1066.26
IUPAC Name2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(O)c1csc(S(N)(=O)=O)c1.COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)NS(=O)(=O)c2cc(C(C)(C)O)cs2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)O)ccn1
InChIInChI=1S/C24H26F2N2O5S2.C17H17F2NO3.C7H11NO3S2/c1-13(2)17-10-16(25)11-18(14-6-7-27-19(8-14)33-5)21(17)22(26)23(29)28-35(31,32)20-9-15(12-34-20)24(3,4)30;1-9(2)12-7-11(18)8-13(15(12)16(19)17(21)22)10-4-5-20-14(6-10)23-3;1-7(2,9)5-3-6(12-4-5)13(8,10)11/h6-13,22,30H,1-5H3,(H,28,29);4-9,16H,1-3H3,(H,21,22);3-4,9H,1-2H3,(H2,8,10,11)
InChIKeyAZAFKCQVYHIXHY-UHFFFAOYSA-N
XLogP9.56
TPSA245.40 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001067.24
LogP ≤ 59.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide 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

benzenesulfonamide;N-(benzenesulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 159403926
N-(4,5-dimethylthiophen-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155463985
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-yl]sulfonylacetamide
CID 155463998
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
CID 155761087
4-chlorobenzenesulfonamide;N-(4-chlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 160866071
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-hydroxy-4-methylpentyl)sulfonylacetamide;4-hydroxy-4-methylpentane-1-sulfonamide
CID 158165324
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]acetamide
CID 155464127
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2,2,2-trifluoroacetic acid
CID 175839241
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylacetamide
CID 155463757
4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,3-dimethylbenzamide
CID 155464125
1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-phenylethylsulfonyl)urea
CID 150340312
N-[3-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155464142

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide (CID 157275262) is 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide is CC(C)(O)c1csc(S(N)(=O)=O)c1.COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)NS(=O)(=O)c2cc(C(C)(C)O)cs2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)O)ccn1.
What is the InChIKey of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is AZAFKCQVYHIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O5S2.C17H17F2NO3.C7H11NO3S2/c1-13(2)17-10-16(25)11-18(14-6-7-27-19(8-14)33-5)21(17)22(26)23(29)28-35(31,32)20-9-15(12-34-20)24(3,4)30;1-9(2)12-7-11(18)8-13(15(12)16(19)17(21)22)10-4-5-20-14(6-10)23-3;1-7(2,9)5-3-6(12-4-5)13(8,10)11/h6-13,22,30H,1-5H3,(H,28,29);4-9,16H,1-3H3,(H,21,22);3-4,9H,1-2H3,(H2,8,10,11).
What are the key properties of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide?
2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 1067.24 g/mol, XLogP of 9.56, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 157275262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).