N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide

C24H27Cl2N3O2S — CID 3595987

IUPACN-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCCCCCCN1C(=O)CC(C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2N3O2S/c1-2-3-4-5-6-14-29-22(30)16-21(23(31)27-20-9-7-8-18(26)15-20)32-24(29)28-19-12-10-17(25)11-13-19/h7-13,15,21H,2-6,14,16H2,1H3,(H,27,31)/b28-24-
InChIKeyHENWYRAVRSUXSE-COOPMVRXSA-N
MW492.47 g/mol
LogP6.92
Rot. Bonds9

About N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide

N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3595987) has the molecular formula C24H27Cl2N3O2S and a molecular weight of 492.47 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3595987
Molecular FormulaC24H27Cl2N3O2S
Molecular Weight492.47 g/mol
Exact Mass491.12
IUPAC NameN-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCCCCCCN1C(=O)CC(C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2N3O2S/c1-2-3-4-5-6-14-29-22(30)16-21(23(31)27-20-9-7-8-18(26)15-20)32-24(29)28-19-12-10-17(25)11-13-19/h7-13,15,21H,2-6,14,16H2,1H3,(H,27,31)/b28-24-
InChIKeyHENWYRAVRSUXSE-COOPMVRXSA-N
XLogP6.92
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4137587
2-(3-chlorophenyl)imino-3-heptyl-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 4052639
(6S)-3-butyl-2-butylimino-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 7320678
N-(3-ethoxyphenyl)-3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4546956
methyl 4-[[(6S)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 1128885
3-heptyl-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4578096
3-[2-(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)imino-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 4183045
(6R)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114298
3-[[3-[2-(4-chlorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 4656660
N-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 3503999
(6S)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 92847626
N-(4-bromophenyl)-3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4161197

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3595987) is N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide is CCCCCCCN1C(=O)CC(C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is HENWYRAVRSUXSE-COOPMVRXSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2S/c1-2-3-4-5-6-14-29-22(30)16-21(23(31)27-20-9-7-8-18(26)15-20)32-24(29)28-19-12-10-17(25)11-13-19/h7-13,15,21H,2-6,14,16H2,1H3,(H,27,31)/b28-24-.
What are the key properties of N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 492.47 g/mol, XLogP of 6.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3595987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).