2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide

C15H19N3O3S — CID 75770004

IUPAC2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C15H19N3O3S/c1-9(2)17-12(19)8-16-13(20)15(3)14(21)18-10-6-4-5-7-11(10)22-15/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyUYPAJVBXEPSMNA-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.13
Rot. Bonds4

About 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide

2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75770004) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75770004
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C15H19N3O3S/c1-9(2)17-12(19)8-16-13(20)15(3)14(21)18-10-6-4-5-7-11(10)22-15/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyUYPAJVBXEPSMNA-UHFFFAOYSA-N
XLogP1.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
CID 75767660
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767750
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767747
2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686325
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 110273886
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767676
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 56686326
2-methyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797009
2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75770012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide (CID 75770004) is 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide is CC(C)NC(=O)CNC(=O)C1(C)Sc2ccccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is UYPAJVBXEPSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9(2)17-12(19)8-16-13(20)15(3)14(21)18-10-6-4-5-7-11(10)22-15/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75770004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).