N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide

C19H22N2O3S — CID 50993581

IUPACN-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide
SMILESCc1ccc2c(c1)N(C(C(=O)NC(C)(C)C)c1ccsc1)C(=O)CO2
InChIInChI=1S/C19H22N2O3S/c1-12-5-6-15-14(9-12)21(16(22)10-24-15)17(13-7-8-25-11-13)18(23)20-19(2,3)4/h5-9,11,17H,10H2,1-4H3,(H,20,23)
InChIKeyUHUVQRPAXHIXRP-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.44
Rot. Bonds3

About N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide

N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide (PubChem CID 50993581) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide
PubChem CID50993581
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide
SMILESCc1ccc2c(c1)N(C(C(=O)NC(C)(C)C)c1ccsc1)C(=O)CO2
InChIInChI=1S/C19H22N2O3S/c1-12-5-6-15-14(9-12)21(16(22)10-24-15)17(13-7-8-25-11-13)18(23)20-19(2,3)4/h5-9,11,17H,10H2,1-4H3,(H,20,23)
InChIKeyUHUVQRPAXHIXRP-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide (CID 50993581) is N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide is Cc1ccc2c(c1)N(C(C(=O)NC(C)(C)C)c1ccsc1)C(=O)CO2.
What is the InChIKey of N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide?
The InChIKey is UHUVQRPAXHIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-5-6-15-14(9-12)21(16(22)10-24-15)17(13-7-8-25-11-13)18(23)20-19(2,3)4/h5-9,11,17H,10H2,1-4H3,(H,20,23).
What are the key properties of N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide?
N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide has a molecular weight of 358.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 50993581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).