N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C17H25N3O6S2 — CID 56581124

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc(C)c1C
InChIInChI=1S/C17H25N3O6S2/c1-11-9-14(10-15(12(11)2)28(25,26)18-4)16(21)19-13(3)17(22)20-5-7-27(23,24)8-6-20/h9-10,13,18H,5-8H2,1-4H3,(H,19,21)
InChIKeyMQQPZRKSDPPYGL-UHFFFAOYSA-N
MW431.54 g/mol
LogP-0.41
Rot. Bonds5

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 56581124) has the molecular formula C17H25N3O6S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID56581124
Molecular FormulaC17H25N3O6S2
Molecular Weight431.54 g/mol
Exact Mass431.12
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc(C)c1C
InChIInChI=1S/C17H25N3O6S2/c1-11-9-14(10-15(12(11)2)28(25,26)18-4)16(21)19-13(3)17(22)20-5-7-27(23,24)8-6-20/h9-10,13,18H,5-8H2,1-4H3,(H,19,21)
InChIKeyMQQPZRKSDPPYGL-UHFFFAOYSA-N
XLogP-0.41
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56533470
3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
CID 32648511
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56544612
N-[1-(1-adamantyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46560476
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 99808858
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]propanamide
CID 56580733
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 56581097

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 56581124) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc(C)c1C.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is MQQPZRKSDPPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S2/c1-11-9-14(10-15(12(11)2)28(25,26)18-4)16(21)19-13(3)17(22)20-5-7-27(23,24)8-6-20/h9-10,13,18H,5-8H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 431.54 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 56581124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).