N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C14H18N2O3S — CID 5200082

IUPACN-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOCCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O3S/c1-19-8-4-7-15-13(17)9-12-14(18)16-10-5-2-3-6-11(10)20-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyMOFVCICYFOZZIN-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.64
Rot. Bonds6

About N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 5200082) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID5200082
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOCCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O3S/c1-19-8-4-7-15-13(17)9-12-14(18)16-10-5-2-3-6-11(10)20-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyMOFVCICYFOZZIN-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 5200082) is N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is COCCCNC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is MOFVCICYFOZZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-8-4-7-15-13(17)9-12-14(18)16-10-5-2-3-6-11(10)20-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 5200082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).