3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide

C17H19N3O3S — CID 7659003

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-14-6-8-18-9-7-14)15-4-3-5-16(12-15)20-10-1-2-11-24(20,22)23/h3-9,12H,1-2,10-11,13H2,(H,19,21)
InChIKeyFRZREIGUYDZZOF-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.94
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 7659003) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID7659003
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-14-6-8-18-9-7-14)15-4-3-5-16(12-15)20-10-1-2-11-24(20,22)23/h3-9,12H,1-2,10-11,13H2,(H,19,21)
InChIKeyFRZREIGUYDZZOF-UHFFFAOYSA-N
XLogP1.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744256
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 7659003) is 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is FRZREIGUYDZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-13-14-6-8-18-9-7-14)15-4-3-5-16(12-15)20-10-1-2-11-24(20,22)23/h3-9,12H,1-2,10-11,13H2,(H,19,21).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 345.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 7659003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).