N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide

C17H16N2O3S — CID 37484301

IUPACN-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2N1
InChIInChI=1S/C17H16N2O3S/c20-16-10-22-15-8-11(3-6-14(15)18-16)17(21)19(12-4-5-12)9-13-2-1-7-23-13/h1-3,6-8,12H,4-5,9-10H2,(H,18,20)
InChIKeyXPHOPAPMJBSLFN-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.88
Rot. Bonds4

About N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide

N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 37484301) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide
PubChem CID37484301
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2N1
InChIInChI=1S/C17H16N2O3S/c20-16-10-22-15-8-11(3-6-14(15)18-16)17(21)19(12-4-5-12)9-13-2-1-7-23-13/h1-3,6-8,12H,4-5,9-10H2,(H,18,20)
InChIKeyXPHOPAPMJBSLFN-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide (CID 37484301) is N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2N1.
What is the InChIKey of N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is XPHOPAPMJBSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16-10-22-15-8-11(3-6-14(15)18-16)17(21)19(12-4-5-12)9-13-2-1-7-23-13/h1-3,6-8,12H,4-5,9-10H2,(H,18,20).
What are the key properties of N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide?
N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 37484301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).