2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide

C20H19N3O3S2 — CID 138673580

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S2/c24-19(12-17-13-27-20(22-17)23-28(25,26)18-10-11-18)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,18H,10-12H2,(H,21,24)(H,22,23)
InChIKeyJYIZPRDTGFFJDQ-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide (PubChem CID 138673580) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
PubChem CID138673580
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S2/c24-19(12-17-13-27-20(22-17)23-28(25,26)18-10-11-18)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,18H,10-12H2,(H,21,24)(H,22,23)
InChIKeyJYIZPRDTGFFJDQ-UHFFFAOYSA-N
XLogP3.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide (CID 138673580) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
The InChIKey is JYIZPRDTGFFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-19(12-17-13-27-20(22-17)23-28(25,26)18-10-11-18)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,18H,10-12H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 138673580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).