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

C23H28FN3O5S — CID 3207019

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C23H28FN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,26H,4,7,12-17H2,(H,25,28)
InChIKeyROUSQTKWSOPLQI-UHFFFAOYSA-N
MW477.56 g/mol
LogP1.47
Rot. Bonds11

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

2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide (PubChem CID 3207019) has the molecular formula C23H28FN3O5S and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
PubChem CID3207019
Molecular FormulaC23H28FN3O5S
Molecular Weight477.56 g/mol
Exact Mass477.17
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C23H28FN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,26H,4,7,12-17H2,(H,25,28)
InChIKeyROUSQTKWSOPLQI-UHFFFAOYSA-N
XLogP1.47
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide with MolForge

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Related Compounds

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
2-[[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-pentanoic acid cyclohexylamide
CID 649739
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 2912534
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2956531
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2963958
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
N-Cyclopentyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 3207003
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3207206
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-pentanoic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3207207

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide (CID 3207019) is 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
The InChIKey is ROUSQTKWSOPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,26H,4,7,12-17H2,(H,25,28).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide has a molecular weight of 477.56 g/mol, XLogP of 1.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide is sourced from PubChem (CID 3207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).