2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

C19H17Cl2N3O3S — CID 135419159

IUPAC2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N/C(=N/c3ccc(Cl)c(Cl)c3)S2)cc1
InChIInChI=1S/C19H17Cl2N3O3S/c1-2-27-13-6-3-11(4-7-13)22-18(26)16-10-17(25)24-19(28-16)23-12-5-8-14(20)15(21)9-12/h3-9,16H,2,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyUMVPUIGYWJYKSU-UHFFFAOYSA-N
MW438.34 g/mol
LogP4.64
Rot. Bonds5

About 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135419159) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135419159
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC Name2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N/C(=N/c3ccc(Cl)c(Cl)c3)S2)cc1
InChIInChI=1S/C19H17Cl2N3O3S/c1-2-27-13-6-3-11(4-7-13)22-18(26)16-10-17(25)24-19(28-16)23-12-5-8-14(20)15(21)9-12/h3-9,16H,2,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyUMVPUIGYWJYKSU-UHFFFAOYSA-N
XLogP4.64
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135410963
1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N'-(3-chlorophenyl)-N-methylcarbamimidothioate
CID 3126862
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706
(2Z)-N-(3-chlorophenyl)-2-[(3-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139928
N-(4-chlorophenyl)-2-[(4-methoxybenzyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
CID 135401766
2-{2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-methoxyphenyl)acetamide
CID 135427531
(2Z)-3-{4-[chloro(difluoro)methoxy]phenyl}-N-(2-chlorophenyl)-2-(methylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3917428
(2Z)-2-[(4-ethoxyphenyl)imino]-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139993
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 11153439
2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 44452824
2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 44453007
N-(4-chlorophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide
CID 44453059

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 135419159) is 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N/C(=N/c3ccc(Cl)c(Cl)c3)S2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is UMVPUIGYWJYKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-2-27-13-6-3-11(4-7-13)22-18(26)16-10-17(25)24-19(28-16)23-12-5-8-14(20)15(21)9-12/h3-9,16H,2,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 438.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135419159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).