N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C17H25N3O2S — CID 3244815

IUPACN-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C17H25N3O2S/c1-3-20(4-2)11-7-10-18-16(21)12-15-17(22)19-13-8-5-6-9-14(13)23-15/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPENCMASKPQGGQO-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.34
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 3244815) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID3244815
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C17H25N3O2S/c1-3-20(4-2)11-7-10-18-16(21)12-15-17(22)19-13-8-5-6-9-14(13)23-15/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPENCMASKPQGGQO-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.34
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-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 3244815) is N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is PENCMASKPQGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-20(4-2)11-7-10-18-16(21)12-15-17(22)19-13-8-5-6-9-14(13)23-15/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 3244815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).