2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C19H19N3O4S2 — CID 25405524

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-15-7-9-16(10-8-15)28(24,25)22-19-21-17(13-27-19)18(23)20-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyARDGZABZECEWEU-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.92
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 25405524) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID25405524
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-15-7-9-16(10-8-15)28(24,25)22-19-21-17(13-27-19)18(23)20-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyARDGZABZECEWEU-UHFFFAOYSA-N
XLogP2.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 25405524) is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ARDGZABZECEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-15-7-9-16(10-8-15)28(24,25)22-19-21-17(13-27-19)18(23)20-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).