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

C20H21N3O4S2 — CID 25405530

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCCc3ccccc3)cs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-27-16-9-11-17(12-10-16)29(25,26)23-20-22-18(14-28-20)19(24)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,24)(H,22,23)
InChIKeySQTOQOVSZGTDIN-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.32
Rot. Bonds9

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

2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 25405530) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID25405530
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCCc3ccccc3)cs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-27-16-9-11-17(12-10-16)29(25,26)23-20-22-18(14-28-20)19(24)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,24)(H,22,23)
InChIKeySQTOQOVSZGTDIN-UHFFFAOYSA-N
XLogP3.32
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 25405530) is 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SQTOQOVSZGTDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-27-16-9-11-17(12-10-16)29(25,26)23-20-22-18(14-28-20)19(24)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.32, 9 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-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).