N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

C17H19N3O4S — CID 53086427

IUPACN-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2Nc3cc(C)ccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-24-13-7-5-12(6-8-13)18-17(21)16-19-14-10-11(2)4-9-15(14)25(22,23)20-16/h4-10,16,19-20H,3H2,1-2H3,(H,18,21)
InChIKeyHWHZGZIETVYPRC-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.06
Rot. Bonds4

About N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 53086427) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID53086427
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2Nc3cc(C)ccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-24-13-7-5-12(6-8-13)18-17(21)16-19-14-10-11(2)4-9-15(14)25(22,23)20-16/h4-10,16,19-20H,3H2,1-2H3,(H,18,21)
InChIKeyHWHZGZIETVYPRC-UHFFFAOYSA-N
XLogP2.06
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086420
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911042
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1040817
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 53086427) is N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is CCOc1ccc(NC(=O)C2Nc3cc(C)ccc3S(=O)(=O)N2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is HWHZGZIETVYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-24-13-7-5-12(6-8-13)18-17(21)16-19-14-10-11(2)4-9-15(14)25(22,23)20-16/h4-10,16,19-20H,3H2,1-2H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 53086427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).