2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide

C19H19N3O4S2 — CID 127048921

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O4S2/c1-14-7-9-15(10-8-14)28(24,25)22(16-5-3-4-6-17(16)26-2)13-18(23)21-19-20-11-12-27-19/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyBTVQCOZBWTUHHI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.29
Rot. Bonds7

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 127048921) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID127048921
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O4S2/c1-14-7-9-15(10-8-14)28(24,25)22(16-5-3-4-6-17(16)26-2)13-18(23)21-19-20-11-12-27-19/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyBTVQCOZBWTUHHI-UHFFFAOYSA-N
XLogP3.29
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide (CID 127048921) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide is COc1ccccc1N(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BTVQCOZBWTUHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-14-7-9-15(10-8-14)28(24,25)22(16-5-3-4-6-17(16)26-2)13-18(23)21-19-20-11-12-27-19/h3-12H,13H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 127048921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).