N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C21H19N3O3S — CID 4963607

IUPACN-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C21H19N3O3S/c25-21(18-10-11-20-23-28(26,27)13-12-24(20)15-18)22-19-9-5-4-8-17(19)14-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,22,25)
InChIKeySXCFWVVKKZPPPD-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.71
Rot. Bonds4

About N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 4963607) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID4963607
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C21H19N3O3S/c25-21(18-10-11-20-23-28(26,27)13-12-24(20)15-18)22-19-9-5-4-8-17(19)14-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,22,25)
InChIKeySXCFWVVKKZPPPD-UHFFFAOYSA-N
XLogP2.71
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 26661166
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46598218
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 42353144
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 40810687
N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27833804
N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 49366370
2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 55974068
N-(cyclohexylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 17428516
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46563354
N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4792834
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 4963607) is N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is SXCFWVVKKZPPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-21(18-10-11-20-23-28(26,27)13-12-24(20)15-18)22-19-9-5-4-8-17(19)14-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,22,25).
What are the key properties of N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 4963607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).