N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide

C21H16N2O2S — CID 1398111

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H16N2O2S/c24-20-16(13-15-7-4-5-10-18(15)22-20)14-23(17-8-2-1-3-9-17)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24)
InChIKeyVPWJVPJKURCGOU-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.44
Rot. Bonds4

About N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide

N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 1398111) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID1398111
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H16N2O2S/c24-20-16(13-15-7-4-5-10-18(15)22-20)14-23(17-8-2-1-3-9-17)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24)
InChIKeyVPWJVPJKURCGOU-UHFFFAOYSA-N
XLogP4.44
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide (CID 1398111) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is VPWJVPJKURCGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-20-16(13-15-7-4-5-10-18(15)22-20)14-23(17-8-2-1-3-9-17)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 1398111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).