(6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide

C19H15Cl2F2N3O3S — CID 1258342

IUPAC(6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC/N=C1\S[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N1c1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C19H15Cl2F2N3O3S/c1-24-18-26(11-6-8-12(9-7-11)29-19(21,22)23)16(27)10-15(30-18)17(28)25-14-5-3-2-4-13(14)20/h2-9,15H,10H2,1H3,(H,25,28)/b24-18-/t15-/m0/s1
InChIKeyJGYPKORULUNXDP-BHQWEUPHSA-N
MW474.32 g/mol
LogP4.97
Rot. Bonds5

About (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide

(6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 1258342) has the molecular formula C19H15Cl2F2N3O3S and a molecular weight of 474.32 g/mol. Its IUPAC name is (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID1258342
Molecular FormulaC19H15Cl2F2N3O3S
Molecular Weight474.32 g/mol
Exact Mass473.02
IUPAC Name(6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC/N=C1\S[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N1c1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C19H15Cl2F2N3O3S/c1-24-18-26(11-6-8-12(9-7-11)29-19(21,22)23)16(27)10-15(30-18)17(28)25-14-5-3-2-4-13(14)20/h2-9,15H,10H2,1H3,(H,25,28)/b24-18-/t15-/m0/s1
InChIKeyJGYPKORULUNXDP-BHQWEUPHSA-N
XLogP4.97
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6S)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(2-chlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1043728
(6S)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(3,5-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 92905527
2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(2,4-dimethylphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3453002
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 3140021
(6S)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(3-chloro-4-methylphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 98056794
(6R)-N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 40842008
methyl 4-[[(6R)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 1039402
4-[[(6S)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 40971447
N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3326916
2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(4-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 3968297
2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4031930
methyl 4-[[(6S)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 1039387

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 1258342) is (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide is C/N=C1\S[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N1c1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is JGYPKORULUNXDP-BHQWEUPHSA-N. The full InChI is InChI=1S/C19H15Cl2F2N3O3S/c1-24-18-26(11-6-8-12(9-7-11)29-19(21,22)23)16(27)10-15(30-18)17(28)25-14-5-3-2-4-13(14)20/h2-9,15H,10H2,1H3,(H,25,28)/b24-18-/t15-/m0/s1.
What are the key properties of (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 474.32 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[4-[chloro(difluoro)methoxy]phenyl]-N-(2-chlorophenyl)-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 1258342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).