N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide

C17H18N2O3S — CID 110783721

IUPACN-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCC1Oc2ccc(CNC(=O)Cc3cccs3)cc2N(C)C1=O
InChIInChI=1S/C17H18N2O3S/c1-11-17(21)19(2)14-8-12(5-6-15(14)22-11)10-18-16(20)9-13-4-3-7-23-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyRDOXOCGDDQUONC-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.35
Rot. Bonds4

About N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide

N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 110783721) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID110783721
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCC1Oc2ccc(CNC(=O)Cc3cccs3)cc2N(C)C1=O
InChIInChI=1S/C17H18N2O3S/c1-11-17(21)19(2)14-8-12(5-6-15(14)22-11)10-18-16(20)9-13-4-3-7-23-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyRDOXOCGDDQUONC-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
CID 110783702
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683173
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4695008
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110783577
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110770696
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide (CID 110783721) is N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide is CC1Oc2ccc(CNC(=O)Cc3cccs3)cc2N(C)C1=O.
What is the InChIKey of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is RDOXOCGDDQUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-17(21)19(2)14-8-12(5-6-15(14)22-11)10-18-16(20)9-13-4-3-7-23-13/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110783721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).