2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C20H28FN3O6S — CID 3207014

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C20H28FN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h5-8,16-17,23H,1-4,9-14H2,(H,22,25)
InChIKeyDTAYJHKMZRDNSO-UHFFFAOYSA-N
MW457.52 g/mol
LogP0.41
Rot. Bonds10

About 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207014) has the molecular formula C20H28FN3O6S and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207014
Molecular FormulaC20H28FN3O6S
Molecular Weight457.52 g/mol
Exact Mass457.17
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C20H28FN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h5-8,16-17,23H,1-4,9-14H2,(H,22,25)
InChIKeyDTAYJHKMZRDNSO-UHFFFAOYSA-N
XLogP0.41
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207014) is 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is DTAYJHKMZRDNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h5-8,16-17,23H,1-4,9-14H2,(H,22,25).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 457.52 g/mol, XLogP of 0.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).