N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide

C19H22N2O4S — CID 112505449

IUPACN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-12-16(20-19(22)15-6-5-7-17(13-15)25-2)8-9-18(14)21-10-3-4-11-26(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyMYKISXLDRBTZPI-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide

N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide (PubChem CID 112505449) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
PubChem CID112505449
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-12-16(20-19(22)15-6-5-7-17(13-15)25-2)8-9-18(14)21-10-3-4-11-26(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyMYKISXLDRBTZPI-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-nitrophenyl)benzamide
CID 7685954
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-6-fluorobenzamide
CID 112505756
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 39776296

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide (CID 112505449) is N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)c1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide?
The InChIKey is MYKISXLDRBTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-12-16(20-19(22)15-6-5-7-17(13-15)25-2)8-9-18(14)21-10-3-4-11-26(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide?
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.19, 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-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide is sourced from PubChem (CID 112505449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).