2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

C22H26FN3O5S — CID 3207198

IUPAC2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O5S/c23-18-10-8-17(9-11-18)13-24-21(27)16-26(15-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-3,6-11,19,25H,4-5,12-16H2,(H,24,27)
InChIKeyQQJDZMLUQWQKEZ-UHFFFAOYSA-N
MW463.53 g/mol
LogP1.43
Rot. Bonds10

About 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207198) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207198
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC Name2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O5S/c23-18-10-8-17(9-11-18)13-24-21(27)16-26(15-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-3,6-11,19,25H,4-5,12-16H2,(H,24,27)
InChIKeyQQJDZMLUQWQKEZ-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 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 3207198) is 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QQJDZMLUQWQKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c23-18-10-8-17(9-11-18)13-24-21(27)16-26(15-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-3,6-11,19,25H,4-5,12-16H2,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-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 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).