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

C21H23N3O2S — CID 4616984

IUPACN-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)C1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C21H23N3O2S/c1-22-20(26)18-15-19(25)24(14-8-11-16-9-4-2-5-10-16)21(27-18)23-17-12-6-3-7-13-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3,(H,22,26)/b23-21-
InChIKeyCNYRTTRWZBTMOP-LNVKXUELSA-N
MW381.50 g/mol
LogP3.39
Rot. Bonds6

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

N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide (PubChem CID 4616984) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
PubChem CID4616984
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)C1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C21H23N3O2S/c1-22-20(26)18-15-19(25)24(14-8-11-16-9-4-2-5-10-16)21(27-18)23-17-12-6-3-7-13-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3,(H,22,26)/b23-21-
InChIKeyCNYRTTRWZBTMOP-LNVKXUELSA-N
XLogP3.39
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide (CID 4616984) is N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide is CNC(=O)C1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1.
What is the InChIKey of N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
The InChIKey is CNYRTTRWZBTMOP-LNVKXUELSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-22-20(26)18-15-19(25)24(14-8-11-16-9-4-2-5-10-16)21(27-18)23-17-12-6-3-7-13-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3,(H,22,26)/b23-21-.
What are the key properties of N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 4616984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).