2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C18H17N3O4S2 — CID 10476292

IUPAC2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccccc3S(C)(=O)=O)ccc2N)n1
InChIInChI=1S/C18H17N3O4S2/c1-11-10-26-18(20-11)21-17(22)13-9-12(7-8-14(13)19)25-15-5-3-4-6-16(15)27(2,23)24/h3-10H,19H2,1-2H3,(H,20,21,22)
InChIKeyMRQNAGCTLKOZNY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.48
Rot. Bonds5

About 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 10476292) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID10476292
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccccc3S(C)(=O)=O)ccc2N)n1
InChIInChI=1S/C18H17N3O4S2/c1-11-10-26-18(20-11)21-17(22)13-9-12(7-8-14(13)19)25-15-5-3-4-6-16(15)27(2,23)24/h3-10H,19H2,1-2H3,(H,20,21,22)
InChIKeyMRQNAGCTLKOZNY-UHFFFAOYSA-N
XLogP3.48
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide
CID 2374706
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4162891
3-isopropoxy-5-(4-(methylsulfonyl)phenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 9868203
2-amino-5-(2-methoxyphenoxy)-N-(4-methylthiazol-2-yl)benzamide
CID 23067415
2-amino-5-(4-fluorophenoxy)-N-(4-methylthiazol-2-yl)benzamide
CID 23067440
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679337
2-amino-N-(4-methylthiazol-2-yl)-5-phenoxybenzamide
CID 23067400
2-amino-5-(2-fluorophenoxy)-N-(4-methylthiazol-2-yl)benzamide
CID 44564932
2-amino-5-(3-fluorophenoxy)-N-(4-methylthiazol-2-yl)benzamide
CID 44564933
3-(2-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572162
3-(2-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572246

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 10476292) is 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Oc3ccccc3S(C)(=O)=O)ccc2N)n1.
What is the InChIKey of 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MRQNAGCTLKOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-11-10-26-18(20-11)21-17(22)13-9-12(7-8-14(13)19)25-15-5-3-4-6-16(15)27(2,23)24/h3-10H,19H2,1-2H3,(H,20,21,22).
What are the key properties of 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10476292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).