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

C22H27N3O6S — CID 649466

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O6S/c1-30-18-9-11-20(12-10-18)32(28,29)24-15-22(27)25(17-6-3-2-4-7-17)16-21(26)23-14-19-8-5-13-31-19/h2-4,6-7,9-12,19,24H,5,8,13-16H2,1H3,(H,23,26)
InChIKeyNHWRAJJFSCROSO-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.30
Rot. Bonds10

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

2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide (PubChem CID 649466) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide
PubChem CID649466
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O6S/c1-30-18-9-11-20(12-10-18)32(28,29)24-15-22(27)25(17-6-3-2-4-7-17)16-21(26)23-14-19-8-5-13-31-19/h2-4,6-7,9-12,19,24H,5,8,13-16H2,1H3,(H,23,26)
InChIKeyNHWRAJJFSCROSO-UHFFFAOYSA-N
XLogP1.30
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide (CID 649466) is 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide?
The InChIKey is NHWRAJJFSCROSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-30-18-9-11-20(12-10-18)32(28,29)24-15-22(27)25(17-6-3-2-4-7-17)16-21(26)23-14-19-8-5-13-31-19/h2-4,6-7,9-12,19,24H,5,8,13-16H2,1H3,(H,23,26).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide has a molecular weight of 461.54 g/mol, XLogP of 1.30, 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-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylacetamide is sourced from PubChem (CID 649466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).