N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C22H27N3O5S — CID 56544612

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C22H27N3O5S/c1-15-11-19(12-16(2)20(15)30-14-18-5-4-6-23-13-18)21(26)24-17(3)22(27)25-7-9-31(28,29)10-8-25/h4-6,11-13,17H,7-10,14H2,1-3H3,(H,24,26)
InChIKeyFTYMIIAJZPMXDF-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.65
Rot. Bonds6

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 56544612) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID56544612
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C22H27N3O5S/c1-15-11-19(12-16(2)20(15)30-14-18-5-4-6-23-13-18)21(26)24-17(3)22(27)25-7-9-31(28,29)10-8-25/h4-6,11-13,17H,7-10,14H2,1-3H3,(H,24,26)
InChIKeyFTYMIIAJZPMXDF-UHFFFAOYSA-N
XLogP1.65
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 52588754
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 56544612) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FTYMIIAJZPMXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15-11-19(12-16(2)20(15)30-14-18-5-4-6-23-13-18)21(26)24-17(3)22(27)25-7-9-31(28,29)10-8-25/h4-6,11-13,17H,7-10,14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 445.54 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 56544612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).