N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C22H18N2O2S — CID 1399377

IUPACN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-8-10-18(11-9-15)24(22(26)20-7-4-12-27-20)14-17-13-16-5-2-3-6-19(16)23-21(17)25/h2-13H,14H2,1H3,(H,23,25)
InChIKeyIZFWEXMNRALCQQ-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.75
Rot. Bonds4

About N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 1399377) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID1399377
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-8-10-18(11-9-15)24(22(26)20-7-4-12-27-20)14-17-13-16-5-2-3-6-19(16)23-21(17)25/h2-13H,14H2,1H3,(H,23,25)
InChIKeyIZFWEXMNRALCQQ-UHFFFAOYSA-N
XLogP4.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 1399377) is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is IZFWEXMNRALCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-8-10-18(11-9-15)24(22(26)20-7-4-12-27-20)14-17-13-16-5-2-3-6-19(16)23-21(17)25/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1399377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).