N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide

C23H21N3O2S — CID 9206546

IUPACN'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-22(15-21-23(28)24-19-13-7-8-14-20(19)29-21)25-26(18-11-5-2-6-12-18)16-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyNFRDJHIWJJKDCP-OAQYLSRUSA-N
MW403.51 g/mol
LogP4.23
Rot. Bonds6

About N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide

N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide (PubChem CID 9206546) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide
PubChem CID9206546
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-22(15-21-23(28)24-19-13-7-8-14-20(19)29-21)25-26(18-11-5-2-6-12-18)16-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyNFRDJHIWJJKDCP-OAQYLSRUSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide
CID 9227408
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9304215
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688
N-[3-(N-methylanilino)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27753834
(2R)-3-methyl-2-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]butanoic acid
CID 125148931
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 94798573
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide?
The IUPAC name of N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide (CID 9206546) is N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide.
What is the SMILES notation for N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide?
The canonical SMILES for N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide is O=C(C[C@H]1Sc2ccccc2NC1=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide?
The InChIKey is NFRDJHIWJJKDCP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-22(15-21-23(28)24-19-13-7-8-14-20(19)29-21)25-26(18-11-5-2-6-12-18)16-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,24,28)(H,25,27)/t21-/m1/s1.
What are the key properties of N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide?
N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide has a molecular weight of 403.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N'-phenylacetohydrazide is sourced from PubChem (CID 9206546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).