(6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

C19H19N3O2S — CID 7025917

IUPAC(6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C19H19N3O2S/c1-20-18(24)16-12-17(23)22(13-14-8-4-2-5-9-14)19(25-16)21-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,24)/b21-19-/t16-/m0/s1
InChIKeyQCLNNFCGEIIWDA-XOMICKMZSA-N
MW353.45 g/mol
LogP2.95
Rot. Bonds4

About (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

(6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 7025917) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID7025917
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C19H19N3O2S/c1-20-18(24)16-12-17(23)22(13-14-8-4-2-5-9-14)19(25-16)21-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,24)/b21-19-/t16-/m0/s1
InChIKeyQCLNNFCGEIIWDA-XOMICKMZSA-N
XLogP2.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-(4-chlorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4046882
2-(3-chlorophenyl)imino-3-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141815
(6S)-3-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1131830
(6S)-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 1131820
(6S)-3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 42588772
2-(3-chlorophenyl)imino-N-methyl-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 3672398
ethyl 4-[[(6S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 1039370
4-[[(6S)-3-[(4-chlorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 92847614
2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 5060945
ethyl 4-[[3-[(4-chlorophenyl)methyl]-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 3141811
3-[(4-chlorophenyl)methyl]-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 5189198
3-benzyl-N-(4-chlorophenyl)-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 5085797

Frequently Asked Questions

What is the IUPAC name of (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 7025917) is (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1.
What is the InChIKey of (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is QCLNNFCGEIIWDA-XOMICKMZSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-20-18(24)16-12-17(23)22(13-14-8-4-2-5-9-14)19(25-16)21-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,24)/b21-19-/t16-/m0/s1.
What are the key properties of (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
(6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-benzyl-N-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 7025917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).