(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide

C23H21N3O3S2 — CID 1299309

IUPAC(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C23H21N3O3S2/c1-29-18-11-9-17(10-12-18)25-23-26(15-19-8-5-13-30-19)21(27)14-20(31-23)22(28)24-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,24,28)/b25-23-/t20-/m0/s1
InChIKeyOQGUIDHTXCAROZ-ZPKJPUMHSA-N
MW451.57 g/mol
LogP4.92
Rot. Bonds6

About (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide

(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide (PubChem CID 1299309) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide
PubChem CID1299309
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C23H21N3O3S2/c1-29-18-11-9-17(10-12-18)25-23-26(15-19-8-5-13-30-19)21(27)14-20(31-23)22(28)24-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,24,28)/b25-23-/t20-/m0/s1
InChIKeyOQGUIDHTXCAROZ-ZPKJPUMHSA-N
XLogP4.92
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-(4-propoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide
CID 27886197
(6S)-3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 42588772
(6R)-3-benzyl-N-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 27904969
3-benzyl-N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4275024
(6R)-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 92847595
N-(3,5-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4677575
methyl 4-[[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4232702
N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 5014127
(6R)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 1128940
N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139917
(6R)-3-benzyl-N-(2-fluorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 42588424
3-heptyl-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4578096

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide (CID 1299309) is (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide is COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide?
The InChIKey is OQGUIDHTXCAROZ-ZPKJPUMHSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-29-18-11-9-17(10-12-18)25-23-26(15-19-8-5-13-30-19)21(27)14-20(31-23)22(28)24-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,24,28)/b25-23-/t20-/m0/s1.
What are the key properties of (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide?
(6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 1299309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).