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

C22H25N3O2S — CID 3415787

IUPACN-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILESCCNC(=O)C1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C22H25N3O2S/c1-2-23-21(27)19-16-20(26)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,27)/b24-22-
InChIKeyZJNQELDZLWEYPN-GYHWCHFESA-N
MW395.53 g/mol
LogP3.78
Rot. Bonds7

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

N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide (PubChem CID 3415787) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
PubChem CID3415787
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILESCCNC(=O)C1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C22H25N3O2S/c1-2-23-21(27)19-16-20(26)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,27)/b24-22-
InChIKeyZJNQELDZLWEYPN-GYHWCHFESA-N
XLogP3.78
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.78
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

1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
(2Z)-3-ethyl-2-(ethylimino)-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 661614
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 2936271
N-Ethyl-2-(3-ethyl-4-oxo-2-p-tolylimino-thiazolidin-5-yl)-acetamide
CID 3136237
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558
2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3886672
(2Z)-N-methyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 4616984
N-cyclohexyl-2-[3-methyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 5181726

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide (CID 3415787) is N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide is CCNC(=O)C1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1.
What is the InChIKey of N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
The InChIKey is ZJNQELDZLWEYPN-GYHWCHFESA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-23-21(27)19-16-20(26)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,27)/b24-22-.
What are the key properties of N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide?
N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3415787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).