2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide

C14H14N2O2S — CID 102737406

IUPAC2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide
SMILESC#CCSCCNC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H14N2O2S/c1-2-6-19-7-5-15-14(18)11-4-3-10-9-13(17)16-12(10)8-11/h1,3-4,8H,5-7,9H2,(H,15,18)(H,16,17)
InChIKeyUKLULPFEVHJJGH-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.28
Rot. Bonds5

About 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide

2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide (PubChem CID 102737406) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide
PubChem CID102737406
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide
SMILESC#CCSCCNC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H14N2O2S/c1-2-6-19-7-5-15-14(18)11-4-3-10-9-13(17)16-12(10)8-11/h1,3-4,8H,5-7,9H2,(H,15,18)(H,16,17)
InChIKeyUKLULPFEVHJJGH-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
6-bromo-N-(2-prop-2-ynylsulfanylethyl)naphthalene-2-carboxamide
CID 103824835
N-(2-cyclohexylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712046
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881
4-(2-prop-2-ynylsulfanylethylcarbamoyl)benzoic acid
CID 114188190
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
N-(2-cyclopentyloxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712402
N-[2-(cyclopropylmethoxy)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737388
ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
CID 102712457
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide?
The IUPAC name of 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide (CID 102737406) is 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide is C#CCSCCNC(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide?
The InChIKey is UKLULPFEVHJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-6-19-7-5-15-14(18)11-4-3-10-9-13(17)16-12(10)8-11/h1,3-4,8H,5-7,9H2,(H,15,18)(H,16,17).
What are the key properties of 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide?
2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102737406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).