N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide

C20H24N2O3S — CID 2812625

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-15-3-6-18(13-16(15)2)20(23)21-19-7-4-17(5-8-19)14-22-9-11-26(24,25)12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyIYIBNPKZDWNTHA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.79
Rot. Bonds4

About N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide (PubChem CID 2812625) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide
PubChem CID2812625
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-15-3-6-18(13-16(15)2)20(23)21-19-7-4-17(5-8-19)14-22-9-11-26(24,25)12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyIYIBNPKZDWNTHA-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide (CID 2812625) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1C.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide?
The InChIKey is IYIBNPKZDWNTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-3-6-18(13-16(15)2)20(23)21-19-7-4-17(5-8-19)14-22-9-11-26(24,25)12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.79, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 2812625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).