2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide

C22H23N3O3S — CID 4685143

IUPAC2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
SMILESC=CCN1C(=O)CC(C(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1
InChIInChI=1S/C22H23N3O3S/c1-4-11-25-20(26)14-19(21(27)23-16-8-5-7-15(2)12-16)29-22(25)24-17-9-6-10-18(13-17)28-3/h4-10,12-13,19H,1,11,14H2,2-3H3,(H,23,27)/b24-22-
InChIKeyHFNGAYINRQZWFL-GYHWCHFESA-N
MW409.51 g/mol
LogP4.15
Rot. Bonds6

About 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide

2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide (PubChem CID 4685143) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
PubChem CID4685143
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
SMILESC=CCN1C(=O)CC(C(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1
InChIInChI=1S/C22H23N3O3S/c1-4-11-25-20(26)14-19(21(27)23-16-8-5-7-15(2)12-16)29-22(25)24-17-9-6-10-18(13-17)28-3/h4-10,12-13,19H,1,11,14H2,2-3H3,(H,23,27)/b24-22-
InChIKeyHFNGAYINRQZWFL-GYHWCHFESA-N
XLogP4.15
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
CID 4607954
2-[(5S)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 7324474
N-(3-methoxyphenyl)-2-[(5S)-2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715568
3-ethyl-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 5058795
N-(3,5-dichlorophenyl)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4142638
2-(3-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 4276489
3-ethyl-N-(3-methoxyphenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 3411040
(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 1213047
N-(3-ethoxyphenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3140011
(6R)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 25305939
3-[2-(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)imino-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 4183045
(6R)-N-(4-bromophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114350

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide (CID 4685143) is 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide is C=CCN1C(=O)CC(C(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide?
The InChIKey is HFNGAYINRQZWFL-GYHWCHFESA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-11-25-20(26)14-19(21(27)23-16-8-5-7-15(2)12-16)29-22(25)24-17-9-6-10-18(13-17)28-3/h4-10,12-13,19H,1,11,14H2,2-3H3,(H,23,27)/b24-22-.
What are the key properties of 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide?
2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)imino-N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 4685143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).