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

C23H29N3O6S — CID 3206948

IUPACN-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O6S/c1-17-9-11-19(12-10-17)33(29,30)25-15-23(28)26(20-7-3-4-8-21(20)31-2)16-22(27)24-14-18-6-5-13-32-18/h3-4,7-12,18,25H,5-6,13-16H2,1-2H3,(H,24,27)
InChIKeyAFZZOKNCQSGICP-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.61
Rot. Bonds10

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

N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3206948) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3206948
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O6S/c1-17-9-11-19(12-10-17)33(29,30)25-15-23(28)26(20-7-3-4-8-21(20)31-2)16-22(27)24-14-18-6-5-13-32-18/h3-4,7-12,18,25H,5-6,13-16H2,1-2H3,(H,24,27)
InChIKeyAFZZOKNCQSGICP-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3206948) is N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is AFZZOKNCQSGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-17-9-11-19(12-10-17)33(29,30)25-15-23(28)26(20-7-3-4-8-21(20)31-2)16-22(27)24-14-18-6-5-13-32-18/h3-4,7-12,18,25H,5-6,13-16H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-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 N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3206948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).