2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide

C22H18FN3O4S2 — CID 25262585

IUPAC2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H18FN3O4S2/c23-19-12-25-22(31-19)26-21(27)20(30-15-3-8-18-14(11-15)9-10-24-18)13-1-4-16(5-2-13)32(28,29)17-6-7-17/h1-5,8-12,17,20,24H,6-7H2,(H,25,26,27)
InChIKeyAVVQTUQKGYAPIV-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.46
Rot. Bonds7

About 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide

2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide (PubChem CID 25262585) has the molecular formula C22H18FN3O4S2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide
PubChem CID25262585
Molecular FormulaC22H18FN3O4S2
Molecular Weight471.54 g/mol
Exact Mass471.07
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H18FN3O4S2/c23-19-12-25-22(31-19)26-21(27)20(30-15-3-8-18-14(11-15)9-10-24-18)13-1-4-16(5-2-13)32(28,29)17-6-7-17/h1-5,8-12,17,20,24H,6-7H2,(H,25,26,27)
InChIKeyAVVQTUQKGYAPIV-UHFFFAOYSA-N
XLogP4.46
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide (CID 25262585) is 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide is O=C(Nc1ncc(F)s1)C(Oc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide?
The InChIKey is AVVQTUQKGYAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S2/c23-19-12-25-22(31-19)26-21(27)20(30-15-3-8-18-14(11-15)9-10-24-18)13-1-4-16(5-2-13)32(28,29)17-6-7-17/h1-5,8-12,17,20,24H,6-7H2,(H,25,26,27).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide?
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide has a molecular weight of 471.54 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(1H-indol-5-yloxy)acetamide is sourced from PubChem (CID 25262585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).