N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C22H26FN3O5S — CID 3207012

IUPACN-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C22H26FN3O5S/c23-18-8-10-20(11-9-18)32(29,30)25-14-22(28)26(15-19-7-4-12-31-19)16-21(27)24-13-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,25H,4,7,12-16H2,(H,24,27)
InChIKeyYLYNIMCCOICYLP-UHFFFAOYSA-N
MW463.53 g/mol
LogP1.43
Rot. Bonds10

About N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207012) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207012
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C22H26FN3O5S/c23-18-8-10-20(11-9-18)32(29,30)25-14-22(28)26(15-19-7-4-12-31-19)16-21(27)24-13-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,25H,4,7,12-16H2,(H,24,27)
InChIKeyYLYNIMCCOICYLP-UHFFFAOYSA-N
XLogP1.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3207012) is N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YLYNIMCCOICYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c23-18-8-10-20(11-9-18)32(29,30)25-14-22(28)26(15-19-7-4-12-31-19)16-21(27)24-13-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,25H,4,7,12-16H2,(H,24,27).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 463.53 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).