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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Related Compounds

4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide
CID 42883227
N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide
CID 42695019
2-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166430942
N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide
CID 42694992
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,3-dimethylbutanamide
CID 136948201
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
methyl 2-[5-(3,3-dimethylbutanoylamino)-1H-indol-3-yl]acetate
CID 129128632
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
3,3-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16943007

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).