N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide

C16H16N2O2S — CID 53093519

IUPACN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H16N2O2S/c1-11(19)18-7-6-13-9-12(4-5-14(13)18)10-17-16(20)15-3-2-8-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)
InChIKeyXMCFTOPMSQLCDH-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.59
Rot. Bonds3

About N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 53093519) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID53093519
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H16N2O2S/c1-11(19)18-7-6-13-9-12(4-5-14(13)18)10-17-16(20)15-3-2-8-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)
InChIKeyXMCFTOPMSQLCDH-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide (CID 53093519) is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide is CC(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XMCFTOPMSQLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(19)18-7-6-13-9-12(4-5-14(13)18)10-17-16(20)15-3-2-8-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,17,20).
What are the key properties of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide?
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53093519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).