2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide

C14H16N2O2S — CID 107297840

IUPAC2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NCC3CCSC3)ccc2N1
InChIInChI=1S/C14H16N2O2S/c17-13-6-11-5-10(1-2-12(11)16-13)14(18)15-7-9-3-4-19-8-9/h1-2,5,9H,3-4,6-8H2,(H,15,18)(H,16,17)
InChIKeyZFGHJQIMFKWUAM-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.66
Rot. Bonds3

About 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide

2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide (PubChem CID 107297840) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
PubChem CID107297840
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NCC3CCSC3)ccc2N1
InChIInChI=1S/C14H16N2O2S/c17-13-6-11-5-10(1-2-12(11)16-13)14(18)15-7-9-3-4-19-8-9/h1-2,5,9H,3-4,6-8H2,(H,15,18)(H,16,17)
InChIKeyZFGHJQIMFKWUAM-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
CID 103708614
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-oxo-N-(2-pyrrolidin-3-ylethyl)-1,3-dihydroindole-5-carboxamide
CID 102711522
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide (CID 107297840) is 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NCC3CCSC3)ccc2N1.
What is the InChIKey of 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide?
The InChIKey is ZFGHJQIMFKWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-6-11-5-10(1-2-12(11)16-13)14(18)15-7-9-3-4-19-8-9/h1-2,5,9H,3-4,6-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide?
2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 107297840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).