N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide

C18H16N4O2S — CID 166228682

IUPACN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccn[nH]2)s1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H16N4O2S/c1-10(11-2-3-13-12(8-11)9-17(23)21-13)20-18(24)16-5-4-15(25-16)14-6-7-19-22-14/h2-8,10H,9H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyNAPQZUNGGBAYTA-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.12
Rot. Bonds4

About N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide

N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 166228682) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID166228682
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccn[nH]2)s1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H16N4O2S/c1-10(11-2-3-13-12(8-11)9-17(23)21-13)20-18(24)16-5-4-15(25-16)14-6-7-19-22-14/h2-8,10H,9H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyNAPQZUNGGBAYTA-UHFFFAOYSA-N
XLogP3.12
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 166228682) is N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide is CC(NC(=O)c1ccc(-c2ccn[nH]2)s1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is NAPQZUNGGBAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10(11-2-3-13-12(8-11)9-17(23)21-13)20-18(24)16-5-4-15(25-16)14-6-7-19-22-14/h2-8,10H,9H2,1H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 166228682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).