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

C15H19N3O4S2 — CID 29456901

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1csc(C)n1
InChIInChI=1S/C15H19N3O4S2/c1-10-16-11(9-23-10)7-15(19)17-13-8-12(5-6-14(13)22-4)24(20,21)18(2)3/h5-6,8-9H,7H2,1-4H3,(H,17,19)
InChIKeyALFNFVALNCOSMM-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.89
Rot. Bonds6

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

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29456901) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29456901
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1csc(C)n1
InChIInChI=1S/C15H19N3O4S2/c1-10-16-11(9-23-10)7-15(19)17-13-8-12(5-6-14(13)22-4)24(20,21)18(2)3/h5-6,8-9H,7H2,1-4H3,(H,17,19)
InChIKeyALFNFVALNCOSMM-UHFFFAOYSA-N
XLogP1.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29456901) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1csc(C)n1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ALFNFVALNCOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10-16-11(9-23-10)7-15(19)17-13-8-12(5-6-14(13)22-4)24(20,21)18(2)3/h5-6,8-9H,7H2,1-4H3,(H,17,19).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29456901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).