N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide

C15H14N2O3S — CID 110713295

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
SMILESCN1C(=O)COc2cccc(NC(=O)Cc3cccs3)c21
InChIInChI=1S/C15H14N2O3S/c1-17-14(19)9-20-12-6-2-5-11(15(12)17)16-13(18)8-10-4-3-7-21-10/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyOSZXYKAVQDRAMM-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.28
Rot. Bonds3

About N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 110713295) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
PubChem CID110713295
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
SMILESCN1C(=O)COc2cccc(NC(=O)Cc3cccs3)c21
InChIInChI=1S/C15H14N2O3S/c1-17-14(19)9-20-12-6-2-5-11(15(12)17)16-13(18)8-10-4-3-7-21-10/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyOSZXYKAVQDRAMM-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
CID 110713280
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
CID 50792075
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide
CID 136570612
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 16841396
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110783577
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110713363
N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide
CID 93124034
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
N-(1H-indazol-7-yl)-2-thiophen-2-ylacetamide
CID 110472568

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide (CID 110713295) is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide is CN1C(=O)COc2cccc(NC(=O)Cc3cccs3)c21.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is OSZXYKAVQDRAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-17-14(19)9-20-12-6-2-5-11(15(12)17)16-13(18)8-10-4-3-7-21-10/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 302.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).