2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C22H26ClN3O5S — CID 3207134

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H26ClN3O5S/c1-16-4-2-5-18(12-16)26(15-21(27)24-13-19-6-3-11-31-19)22(28)14-25-32(29,30)20-9-7-17(23)8-10-20/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27)
InChIKeyWIKCRQAWUFACOR-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.26
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207134) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207134
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H26ClN3O5S/c1-16-4-2-5-18(12-16)26(15-21(27)24-13-19-6-3-11-31-19)22(28)14-25-32(29,30)20-9-7-17(23)8-10-20/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27)
InChIKeyWIKCRQAWUFACOR-UHFFFAOYSA-N
XLogP2.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207134) is 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is WIKCRQAWUFACOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-16-4-2-5-18(12-16)26(15-21(27)24-13-19-6-3-11-31-19)22(28)14-25-32(29,30)20-9-7-17(23)8-10-20/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).