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

C22H26ClN3O6S — CID 3207147

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O6S/c1-31-20-7-3-2-6-19(20)26(15-21(27)24-13-17-5-4-12-32-17)22(28)14-25-33(29,30)18-10-8-16(23)9-11-18/h2-3,6-11,17,25H,4-5,12-15H2,1H3,(H,24,27)
InChIKeyHHNYUJMOJUKBFD-UHFFFAOYSA-N
MW495.99 g/mol
LogP1.96
Rot. Bonds10

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

2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207147) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207147
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O6S/c1-31-20-7-3-2-6-19(20)26(15-21(27)24-13-17-5-4-12-32-17)22(28)14-25-33(29,30)18-10-8-16(23)9-11-18/h2-3,6-11,17,25H,4-5,12-15H2,1H3,(H,24,27)
InChIKeyHHNYUJMOJUKBFD-UHFFFAOYSA-N
XLogP1.96
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207147) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is HHNYUJMOJUKBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-31-20-7-3-2-6-19(20)26(15-21(27)24-13-17-5-4-12-32-17)22(28)14-25-33(29,30)18-10-8-16(23)9-11-18/h2-3,6-11,17,25H,4-5,12-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 495.99 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).