N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C17H24N2O5S — CID 28592602

IUPACN-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-7-10(2)18-17(20)16-11(3)12-8-14(23-5)15(24-6)9-13(12)19(4)25(16,21)22/h8-10H,7H2,1-6H3,(H,18,20)/t10-/m1/s1
InChIKeyCRUMSDYFBKFSDU-SNVBAGLBSA-N
MW368.46 g/mol
LogP2.13
Rot. Bonds5

About N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592602) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592602
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-7-10(2)18-17(20)16-11(3)12-8-14(23-5)15(24-6)9-13(12)19(4)25(16,21)22/h8-10H,7H2,1-6H3,(H,18,20)/t10-/m1/s1
InChIKeyCRUMSDYFBKFSDU-SNVBAGLBSA-N
XLogP2.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592602) is N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CC[C@@H](C)NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is CRUMSDYFBKFSDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-7-10(2)18-17(20)16-11(3)12-8-14(23-5)15(24-6)9-13(12)19(4)25(16,21)22/h8-10H,7H2,1-6H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).