2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C20H24N4O4S — CID 174900492

IUPAC2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESNNC(=O)c1ccc(CNC(=O)N2CCS(=O)(=O)C(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N4O4S/c21-23-19(25)17-8-6-16(7-9-17)13-22-20(26)24-10-11-29(27,28)18(14-24)12-15-4-2-1-3-5-15/h1-9,18H,10-14,21H2,(H,22,26)(H,23,25)
InChIKeyPWAVRHZEWUUVAM-UHFFFAOYSA-N
MW416.50 g/mol
LogP0.84
Rot. Bonds5

About 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 174900492) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID174900492
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESNNC(=O)c1ccc(CNC(=O)N2CCS(=O)(=O)C(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N4O4S/c21-23-19(25)17-8-6-16(7-9-17)13-22-20(26)24-10-11-29(27,28)18(14-24)12-15-4-2-1-3-5-15/h1-9,18H,10-14,21H2,(H,22,26)(H,23,25)
InChIKeyPWAVRHZEWUUVAM-UHFFFAOYSA-N
XLogP0.84
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 174900492) is 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is NNC(=O)c1ccc(CNC(=O)N2CCS(=O)(=O)C(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is PWAVRHZEWUUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c21-23-19(25)17-8-6-16(7-9-17)13-22-20(26)24-10-11-29(27,28)18(14-24)12-15-4-2-1-3-5-15/h1-9,18H,10-14,21H2,(H,22,26)(H,23,25).
What are the key properties of 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 174900492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).