N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C13H16N2O4S2 — CID 60723984

IUPACN-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1
InChIInChI=1S/C13H16N2O4S2/c1-9-12(20-13(16)14-9)21(17,18)15(2)8-10-5-4-6-11(7-10)19-3/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyHOQFWCCJOQBLKL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.57
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723984) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723984
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC NameN-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1
InChIInChI=1S/C13H16N2O4S2/c1-9-12(20-13(16)14-9)21(17,18)15(2)8-10-5-4-6-11(7-10)19-3/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyHOQFWCCJOQBLKL-UHFFFAOYSA-N
XLogP1.57
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723953
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984523
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
CID 54949213
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60723984) is N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is COc1cccc(CN(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is HOQFWCCJOQBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-9-12(20-13(16)14-9)21(17,18)15(2)8-10-5-4-6-11(7-10)19-3/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).