2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C22H23FN2O4S — CID 43958313

IUPAC2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)NCC1CCCO1
InChIInChI=1S/C22H23FN2O4S/c23-17-6-3-5-16(11-17)15-30(27,28)21-13-25(20-9-2-1-8-19(20)21)14-22(26)24-12-18-7-4-10-29-18/h1-3,5-6,8-9,11,13,18H,4,7,10,12,14-15H2,(H,24,26)
InChIKeyADELTVRDXHRKQQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.05
Rot. Bonds7

About 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 43958313) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID43958313
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC Name2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)NCC1CCCO1
InChIInChI=1S/C22H23FN2O4S/c23-17-6-3-5-16(11-17)15-30(27,28)21-13-25(20-9-2-1-8-19(20)21)14-22(26)24-12-18-7-4-10-29-18/h1-3,5-6,8-9,11,13,18H,4,7,10,12,14-15H2,(H,24,26)
InChIKeyADELTVRDXHRKQQ-UHFFFAOYSA-N
XLogP3.05
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94087831
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 30560175
N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563513
2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 54589378
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 30560046
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 43958313) is 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ADELTVRDXHRKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c23-17-6-3-5-16(11-17)15-30(27,28)21-13-25(20-9-2-1-8-19(20)21)14-22(26)24-12-18-7-4-10-29-18/h1-3,5-6,8-9,11,13,18H,4,7,10,12,14-15H2,(H,24,26).
What are the key properties of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 430.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 43958313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).