N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide

C23H18ClN3O2S — CID 3733020

IUPACN-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C23H18ClN3O2S/c24-16-11-13-18(14-12-16)25-22(29)20-15-21(28)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,29)/b26-23-
InChIKeyFOPDCUVSFHWKBE-RWEWTDSWSA-N
MW435.94 g/mol
LogP5.50
Rot. Bonds4

About N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide

N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 3733020) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID3733020
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC NameN-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C23H18ClN3O2S/c24-16-11-13-18(14-12-16)25-22(29)20-15-21(28)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,29)/b26-23-
InChIKeyFOPDCUVSFHWKBE-RWEWTDSWSA-N
XLogP5.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 55.50
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
(6R)-N-(4-hexoxyphenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 40941082
4-[[(6S)-3-[(4-chlorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 92847614
3-[(4-chlorophenyl)methyl]-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 5189198
(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
3-benzyl-N-(4-chlorophenyl)-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 5085797
methyl 4-[[(6S)-3-[(4-chlorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 40849640
4-[[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3140631
(6R)-3-benzyl-N-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 27904969
N-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 3503999
(6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 92847618
(6R)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 92847619

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 3733020) is N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1.
What is the InChIKey of N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is FOPDCUVSFHWKBE-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c24-16-11-13-18(14-12-16)25-22(29)20-15-21(28)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,29)/b26-23-.
What are the key properties of N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 435.94 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3733020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).