N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C15H19N3O5S2 — CID 87061302

IUPACN-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1S(=O)(=O)NCCO
InChIInChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyGOHKFNRLRAIJSO-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.36
Rot. Bonds7

About N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87061302) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87061302
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1S(=O)(=O)NCCO
InChIInChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyGOHKFNRLRAIJSO-UHFFFAOYSA-N
XLogP1.36
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

PI4KIIIbeta-IN-9
CID 71533728
PI4KIIIbeta-IN-10
CID 71549093
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 127031333
N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
CID 121452654
N-[5-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
CID 121452662
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2125206
tert-butyl N-[2-[[5-[2-(heptanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]ethyl]carbamate
CID 170945186
tert-butyl N-[(3R)-1-[5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylpiperidin-3-yl]carbamate
CID 170945189
tert-butyl N-[2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-methoxyphenyl]sulfonylamino]ethyl]carbamate
CID 170945193
tert-butyl N-[2-[[2-methoxy-5-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]phenyl]sulfonylamino]ethyl]carbamate
CID 170945195
tert-butyl N-[2-[[5-[2-(butanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]ethyl]carbamate
CID 170945198
tert-butyl N-[2-[[2-methoxy-5-[4-methyl-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]phenyl]sulfonylamino]ethyl]carbamate
CID 170945200

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87061302) is N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2sc(NC(C)=O)nc2C)cc1S(=O)(=O)NCCO.
What is the InChIKey of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GOHKFNRLRAIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20).
What are the key properties of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87061302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).