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

C17H19N3O3S — CID 95074060

IUPAC(3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2Nc3cc(C)ccc3S(=O)(=O)N2)c1
InChIInChI=1S/C17H19N3O3S/c1-3-12-5-4-6-13(10-12)18-17(21)16-19-14-9-11(2)7-8-15(14)24(22,23)20-16/h4-10,16,19-20H,3H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyNMWPDXCIQNSQQS-INIZCTEOSA-N
MW345.42 g/mol
LogP2.23
Rot. Bonds3

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

(3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 95074060) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID95074060
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2Nc3cc(C)ccc3S(=O)(=O)N2)c1
InChIInChI=1S/C17H19N3O3S/c1-3-12-5-4-6-13(10-12)18-17(21)16-19-14-9-11(2)7-8-15(14)24(22,23)20-16/h4-10,16,19-20H,3H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyNMWPDXCIQNSQQS-INIZCTEOSA-N
XLogP2.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086430
4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-(3-ethylphenyl)benzamide
CID 92876151
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
(3S)-N-(3,4-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711878
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 95074060) is (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is CCc1cccc(NC(=O)[C@H]2Nc3cc(C)ccc3S(=O)(=O)N2)c1.
What is the InChIKey of (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is NMWPDXCIQNSQQS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-12-5-4-6-13(10-12)18-17(21)16-19-14-9-11(2)7-8-15(14)24(22,23)20-16/h4-10,16,19-20H,3H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 95074060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).