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

C18H25N3O5S2 — CID 127031333

IUPACN-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCO
InChIInChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23)
InChIKeyZIAQCNNEFUFRMN-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.38
Rot. Bonds7

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

N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 127031333) has the molecular formula C18H25N3O5S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID127031333
Molecular FormulaC18H25N3O5S2
Molecular Weight427.55 g/mol
Exact Mass427.12
IUPAC NameN-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCO
InChIInChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23)
InChIKeyZIAQCNNEFUFRMN-UHFFFAOYSA-N
XLogP2.38
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 127031333) is N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCO.
What is the InChIKey of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ZIAQCNNEFUFRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23).
What are the key properties of N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[3-(2-hydroxyethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 427.55 g/mol, XLogP of 2.38, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 127031333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).