2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide

C18H22N4O3S — CID 53172279

IUPAC2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(N2CN(CC(=O)NC(C)C)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C18H22N4O3S/c1-13(2)20-17(23)11-21-12-22(15-8-6-14(3)7-9-15)18-16(26(21,24)25)5-4-10-19-18/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyPXALOFXQUXUHGP-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide

2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 53172279) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide
PubChem CID53172279
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(N2CN(CC(=O)NC(C)C)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C18H22N4O3S/c1-13(2)20-17(23)11-21-12-22(15-8-6-14(3)7-9-15)18-16(26(21,24)25)5-4-10-19-18/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyPXALOFXQUXUHGP-UHFFFAOYSA-N
XLogP2.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propan-2-ylacetamide
CID 71841477
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 125442093
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
2-benzyl-4-(4-methylphenyl)-1,1-dioxopyrido[2,3-e][1,2,4]thiadiazin-3-one
CID 53180315
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
N-[(1S)-1-(4-methylphenyl)ethyl]-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 95121705
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide
CID 98066429
2-[(3-amino-2-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103304775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide (CID 53172279) is 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide is Cc1ccc(N2CN(CC(=O)NC(C)C)S(=O)(=O)c3cccnc32)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is PXALOFXQUXUHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13(2)20-17(23)11-21-12-22(15-8-6-14(3)7-9-15)18-16(26(21,24)25)5-4-10-19-18/h4-10,13H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide?
2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 374.47 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53172279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).