N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide

C19H19ClN2O3S — CID 2821348

IUPACN-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N=S2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-25-17-8-4-14(5-9-17)18(23)21-26-12-10-22(11-13-26)19(24)15-2-6-16(20)7-3-15/h2-9H,10-13H2,1H3
InChIKeyFYUJMLDEDSTKFG-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide

N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide (PubChem CID 2821348) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide
PubChem CID2821348
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N=S2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-25-17-8-4-14(5-9-17)18(23)21-26-12-10-22(11-13-26)19(24)15-2-6-16(20)7-3-15/h2-9H,10-13H2,1H3
InChIKeyFYUJMLDEDSTKFG-UHFFFAOYSA-N
XLogP3.45
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2843164
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CID 2747480
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CID 2802385
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CID 2093192
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CID 720123
CID 720123
CID 16015088
CID 16015088
CID 16015118
CID 16015118
CID 16111881
CID 16111881
CID 27847327
CID 27847327
CID 44589629
CID 44589629
CID 76314343
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CID 76328809
CID 76328809

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide?
The IUPAC name of N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide (CID 2821348) is N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide?
The canonical SMILES for N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide is COc1ccc(C(=O)N=S2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide?
The InChIKey is FYUJMLDEDSTKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-25-17-8-4-14(5-9-17)18(23)21-26-12-10-22(11-13-26)19(24)15-2-6-16(20)7-3-15/h2-9H,10-13H2,1H3.
What are the key properties of N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide?
N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide has a molecular weight of 390.89 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]-4-methoxybenzamide is sourced from PubChem (CID 2821348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).