2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H19N3O4S2 — CID 16828747

IUPAC2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H19N3O4S2/c1-3-26-15-11-9-14(10-12-15)21-18(23)17-13(2)20-19(27-17)22-28(24,25)16-7-5-4-6-8-16/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNYAPPMYYJPHTED-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.90
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16828747) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16828747
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H19N3O4S2/c1-3-26-15-11-9-14(10-12-15)21-18(23)17-13(2)20-19(27-17)22-28(24,25)16-7-5-4-6-8-16/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNYAPPMYYJPHTED-UHFFFAOYSA-N
XLogP3.90
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982
2-[4-[(E)-[[2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 45124744
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945056
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 28936138
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 16828747) is 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NYAPPMYYJPHTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-3-26-15-11-9-14(10-12-15)21-18(23)17-13(2)20-19(27-17)22-28(24,25)16-7-5-4-6-8-16/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).