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

C14H18N2O2S — CID 2872903

IUPACN-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O2S/c1-2-3-8-15-13(17)9-12-14(18)16-10-6-4-5-7-11(10)19-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyLZEZAIUIPMRURB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.41
Rot. Bonds5

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

N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 2872903) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID2872903
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O2S/c1-2-3-8-15-13(17)9-12-14(18)16-10-6-4-5-7-11(10)19-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyLZEZAIUIPMRURB-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4H-1,4-Benzothiazin-3-one
CID 21396
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetic acid
CID 234937
2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide
CID 448475
3,4-Dihydro-3-oxo-2H-1,4-benzothiazine-2-acetic acid hydrazide
CID 3450026
Ethyl 2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetate
CID 2778792
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
2,3-Dihydro-1,4-benzothiazine
CID 151064
N-(sec-butyl)-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3424085
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
N-cyclopropyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 4453660
4-Amino-1-(10H-phenothiazin-10-yl)butan-1-one hydrochloride
CID 6603292
N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
CID 2778865

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 2872903) is N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CCCCNC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is LZEZAIUIPMRURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-3-8-15-13(17)9-12-14(18)16-10-6-4-5-7-11(10)19-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 2872903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).