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

C23H29N3O6S — CID 648647

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1
InChIInChI=1S/C23H29N3O6S/c1-17-6-3-4-8-21(17)26(16-22(27)24-14-19-7-5-13-32-19)23(28)15-25-33(29,30)20-11-9-18(31-2)10-12-20/h3-4,6,8-12,19,25H,5,7,13-16H2,1-2H3,(H,24,27)
InChIKeyFYANNMRFPSTTNG-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.61
Rot. Bonds10

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

2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 648647) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID648647
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1
InChIInChI=1S/C23H29N3O6S/c1-17-6-3-4-8-21(17)26(16-22(27)24-14-19-7-5-13-32-19)23(28)15-25-33(29,30)20-11-9-18(31-2)10-12-20/h3-4,6,8-12,19,25H,5,7,13-16H2,1-2H3,(H,24,27)
InChIKeyFYANNMRFPSTTNG-UHFFFAOYSA-N
XLogP1.61
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 648647) is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is FYANNMRFPSTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-17-6-3-4-8-21(17)26(16-22(27)24-14-19-7-5-13-32-19)23(28)15-25-33(29,30)20-11-9-18(31-2)10-12-20/h3-4,6,8-12,19,25H,5,7,13-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 475.57 g/mol, XLogP of 1.61, 10 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-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 648647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).