5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide

C20H19N3O4S — CID 54684971

IUPAC5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
SMILESCCn1c2c(c3ccccc31)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1)=C2O
InChIInChI=1S/C20H19N3O4S/c1-3-23-15-12-8-7-11-14(15)19-16(23)18(24)17(22(2)28(19,26)27)20(25)21-13-9-5-4-6-10-13/h4-12,24H,3H2,1-2H3,(H,21,25)
InChIKeyDGCWWOQNXPRVMG-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.16
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide

5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide (PubChem CID 54684971) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
PubChem CID54684971
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
SMILESCCn1c2c(c3ccccc31)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1)=C2O
InChIInChI=1S/C20H19N3O4S/c1-3-23-15-12-8-7-11-14(15)19-16(23)18(24)17(22(2)28(19,26)27)20(25)21-13-9-5-4-6-10-13/h4-12,24H,3H2,1-2H3,(H,21,25)
InChIKeyDGCWWOQNXPRVMG-UHFFFAOYSA-N
XLogP3.16
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
The IUPAC name of 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide (CID 54684971) is 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide is CCn1c2c(c3ccccc31)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1)=C2O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
The InChIKey is DGCWWOQNXPRVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-3-23-15-12-8-7-11-14(15)19-16(23)18(24)17(22(2)28(19,26)27)20(25)21-13-9-5-4-6-10-13/h4-12,24H,3H2,1-2H3,(H,21,25).
What are the key properties of 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-methyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide is sourced from PubChem (CID 54684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).