2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide

C17H16N2O4S — CID 141053314

IUPAC2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(N)=O)=C(OCc2ccccc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O4S/c1-19-15(17(18)20)16(23-11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)24(19,21)22/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyYMPQNDTVNNZZFQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide

2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 141053314) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide
PubChem CID141053314
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(N)=O)=C(OCc2ccccc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O4S/c1-19-15(17(18)20)16(23-11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)24(19,21)22/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyYMPQNDTVNNZZFQ-UHFFFAOYSA-N
XLogP1.69
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide (CID 141053314) is 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(N)=O)=C(OCc2ccccc2)c2ccccc2S1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is YMPQNDTVNNZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19-15(17(18)20)16(23-11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)24(19,21)22/h2-10H,11H2,1H3,(H2,18,20).
What are the key properties of 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide?
2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-4-phenylmethoxy-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 141053314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).