N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide

C18H25N3O2S — CID 42695010

IUPACN-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide
SMILESCCN(CC)c1nc(=O)c2cc(NC(=O)CC(C)(C)C)ccc2s1
InChIInChI=1S/C18H25N3O2S/c1-6-21(7-2)17-20-16(23)13-10-12(8-9-14(13)24-17)19-15(22)11-18(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,19,22)
InChIKeyIDYNFOQPKRMLCJ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide

N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide (PubChem CID 42695010) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide
PubChem CID42695010
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide
SMILESCCN(CC)c1nc(=O)c2cc(NC(=O)CC(C)(C)C)ccc2s1
InChIInChI=1S/C18H25N3O2S/c1-6-21(7-2)17-20-16(23)13-10-12(8-9-14(13)24-17)19-15(22)11-18(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,19,22)
InChIKeyIDYNFOQPKRMLCJ-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide (CID 42695010) is N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide is CCN(CC)c1nc(=O)c2cc(NC(=O)CC(C)(C)C)ccc2s1.
What is the InChIKey of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide?
The InChIKey is IDYNFOQPKRMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-6-21(7-2)17-20-16(23)13-10-12(8-9-14(13)24-17)19-15(22)11-18(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide?
N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide has a molecular weight of 347.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42695010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).