2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide

C14H12N2O2S — CID 102712365

IUPAC2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCc3ccsc3)cc2N1
InChIInChI=1S/C14H12N2O2S/c17-13-6-10-1-2-11(5-12(10)16-13)14(18)15-7-9-3-4-19-8-9/h1-5,8H,6-7H2,(H,15,18)(H,16,17)
InChIKeyNFHMDDLNTZEOTB-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.17
Rot. Bonds3

About 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide

2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide (PubChem CID 102712365) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
PubChem CID102712365
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCc3ccsc3)cc2N1
InChIInChI=1S/C14H12N2O2S/c17-13-6-10-1-2-11(5-12(10)16-13)14(18)15-7-9-3-4-19-8-9/h1-5,8H,6-7H2,(H,15,18)(H,16,17)
InChIKeyNFHMDDLNTZEOTB-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712839
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737501
N-[(2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711893
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-[(4-carbamoylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797946
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712117
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712371
2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide
CID 102737406

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide?
The IUPAC name of 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide (CID 102712365) is 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)NCc3ccsc3)cc2N1.
What is the InChIKey of 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide?
The InChIKey is NFHMDDLNTZEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-13-6-10-1-2-11(5-12(10)16-13)14(18)15-7-9-3-4-19-8-9/h1-5,8H,6-7H2,(H,15,18)(H,16,17).
What are the key properties of 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide?
2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).