N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

C19H17Cl2N3O2S — CID 4139931

IUPACN-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCCN1C(=O)CC(C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccccc1
InChIInChI=1S/C19H17Cl2N3O2S/c1-2-24-17(25)11-16(27-19(24)23-12-6-4-3-5-7-12)18(26)22-13-8-9-14(20)15(21)10-13/h3-10,16H,2,11H2,1H3,(H,22,26)/b23-19-
InChIKeyXCQANBLOCDNUMT-NMWGTECJSA-N
MW422.34 g/mol
LogP4.97
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 4139931) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID4139931
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC NameN-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCCN1C(=O)CC(C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccccc1
InChIInChI=1S/C19H17Cl2N3O2S/c1-2-24-17(25)11-16(27-19(24)23-12-6-4-3-5-7-12)18(26)22-13-8-9-14(20)15(21)10-13/h3-10,16H,2,11H2,1H3,(H,22,26)/b23-19-
InChIKeyXCQANBLOCDNUMT-NMWGTECJSA-N
XLogP4.97
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.97
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

2-(4-bromophenyl)imino-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3498476
N-(3-chloro-4-methylphenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5140673
N-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4161927
N-(4-ethoxyphenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139591
methyl 4-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 5180966
4-[[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3140631
4-[[(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 41244452
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211
2-(3,4-dichlorophenyl)imino-3-ethyl-N-(4-hexoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3140609
3-benzyl-N-(4-chlorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4046882
methyl 4-[[(6S)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 1128885
(6R)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 1128940

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 4139931) is N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is CCN1C(=O)CC(C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccccc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is XCQANBLOCDNUMT-NMWGTECJSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-2-24-17(25)11-16(27-19(24)23-12-6-4-3-5-7-12)18(26)22-13-8-9-14(20)15(21)10-13/h3-10,16H,2,11H2,1H3,(H,22,26)/b23-19-.
What are the key properties of N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 422.34 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 4139931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).