N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide

C20H23N3O5S — CID 7499116

IUPACN-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C20H23N3O5S/c1-14(24)21-16-8-9-19(28-2)18(13-16)22-20(25)15-6-5-7-17(12-15)23-10-3-4-11-29(23,26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLEGQNKGPAOLEHP-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.84
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide

N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7499116) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7499116
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C20H23N3O5S/c1-14(24)21-16-8-9-19(28-2)18(13-16)22-20(25)15-6-5-7-17(12-15)23-10-3-4-11-29(23,26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLEGQNKGPAOLEHP-UHFFFAOYSA-N
XLogP2.84
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (CID 7499116) is N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is LEGQNKGPAOLEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14(24)21-16-8-9-19(28-2)18(13-16)22-20(25)15-6-5-7-17(12-15)23-10-3-4-11-29(23,26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7499116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).