4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide

C22H20N2O2S — CID 53109956

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccs4)cc3)ccc21
InChIInChI=1S/C22H20N2O2S/c1-15(25)24-11-10-19-13-18(8-9-21(19)24)16-4-6-17(7-5-16)22(26)23-14-20-3-2-12-27-20/h2-9,12-13H,10-11,14H2,1H3,(H,23,26)
InChIKeyKBJBLLKJRICTOL-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.25
Rot. Bonds4

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 53109956) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID53109956
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccs4)cc3)ccc21
InChIInChI=1S/C22H20N2O2S/c1-15(25)24-11-10-19-13-18(8-9-21(19)24)16-4-6-17(7-5-16)22(26)23-14-20-3-2-12-27-20/h2-9,12-13H,10-11,14H2,1H3,(H,23,26)
InChIKeyKBJBLLKJRICTOL-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 51865035
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53124741
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
1-acetyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2,3-dihydroindole-5-carboxamide
CID 51266884
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 53109956) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide is CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccs4)cc3)ccc21.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KBJBLLKJRICTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15(25)24-11-10-19-13-18(8-9-21(19)24)16-4-6-17(7-5-16)22(26)23-14-20-3-2-12-27-20/h2-9,12-13H,10-11,14H2,1H3,(H,23,26).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 53109956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).