N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide

C18H20N2O3S — CID 2810635

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(16-4-2-1-3-5-16)19-17-8-6-15(7-9-17)14-20-10-12-24(22,23)13-11-20/h1-9H,10-14H2,(H,19,21)
InChIKeyNJHGBSAICIYFRC-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.17
Rot. Bonds4

About N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide (PubChem CID 2810635) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
PubChem CID2810635
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(16-4-2-1-3-5-16)19-17-8-6-15(7-9-17)14-20-10-12-24(22,23)13-11-20/h1-9H,10-14H2,(H,19,21)
InChIKeyNJHGBSAICIYFRC-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2812624
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CID 558837
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CID 1081285
N-[4-(cyanomethyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide (CID 2810635) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide is O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The InChIKey is NJHGBSAICIYFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(16-4-2-1-3-5-16)19-17-8-6-15(7-9-17)14-20-10-12-24(22,23)13-11-20/h1-9H,10-14H2,(H,19,21).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 2810635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).