N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide

C24H19N3O3S — CID 90613137

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c2ccccc2n1
InChIInChI=1S/C24H19N3O3S/c1-15-13-20(18-9-5-6-10-19(18)26-15)27-24(30)23(29)25-14-17-11-12-21(31-17)22(28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyXTDXZYVHTPNBJQ-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.09
Rot. Bonds5

About N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide

N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide (PubChem CID 90613137) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide
PubChem CID90613137
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c2ccccc2n1
InChIInChI=1S/C24H19N3O3S/c1-15-13-20(18-9-5-6-10-19(18)26-15)27-24(30)23(29)25-14-17-11-12-21(31-17)22(28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyXTDXZYVHTPNBJQ-UHFFFAOYSA-N
XLogP4.09
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-nitrophenyl)oxamide
CID 90613118
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
CID 90613141
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 18588781
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 16891935
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide (CID 90613137) is N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide is Cc1cc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c2ccccc2n1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide?
The InChIKey is XTDXZYVHTPNBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-15-13-20(18-9-5-6-10-19(18)26-15)27-24(30)23(29)25-14-17-11-12-21(31-17)22(28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide?
N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide has a molecular weight of 429.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide is sourced from PubChem (CID 90613137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).