2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C22H17FN2O2S — CID 1095465

IUPAC2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1
InChIInChI=1S/C22H17FN2O2S/c23-19-9-3-1-8-17(19)22(27)18-13-25(20-10-4-2-7-16(18)20)14-21(26)24-12-15-6-5-11-28-15/h1-11,13H,12,14H2,(H,24,26)
InChIKeyPRXBKGUJXQYTER-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.39
Rot. Bonds6

About 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1095465) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1095465
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1
InChIInChI=1S/C22H17FN2O2S/c23-19-9-3-1-8-17(19)22(27)18-13-25(20-10-4-2-7-16(18)20)14-21(26)24-12-15-6-5-11-28-15/h1-11,13H,12,14H2,(H,24,26)
InChIKeyPRXBKGUJXQYTER-UHFFFAOYSA-N
XLogP4.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 804447
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
2-[3-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126145410
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 14896529
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 18562402
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 4278105
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
2-[3-[(Z)-(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 44714175
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 1095465) is 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1.
What is the InChIKey of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PRXBKGUJXQYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c23-19-9-3-1-8-17(19)22(27)18-13-25(20-10-4-2-7-16(18)20)14-21(26)24-12-15-6-5-11-28-15/h1-11,13H,12,14H2,(H,24,26).
What are the key properties of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1095465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).