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

C22H25F2N3O5S — CID 3207022

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C22H25F2N3O5S/c23-17-5-3-16(4-6-17)14-27(15-21(28)25-12-19-2-1-11-32-19)22(29)13-26-33(30,31)20-9-7-18(24)8-10-20/h3-10,19,26H,1-2,11-15H2,(H,25,28)
InChIKeyIGPAELNDXYXZIP-UHFFFAOYSA-N
MW481.52 g/mol
LogP1.57
Rot. Bonds10

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

N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207022) has the molecular formula C22H25F2N3O5S and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207022
Molecular FormulaC22H25F2N3O5S
Molecular Weight481.52 g/mol
Exact Mass481.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C22H25F2N3O5S/c23-17-5-3-16(4-6-17)14-27(15-21(28)25-12-19-2-1-11-32-19)22(29)13-26-33(30,31)20-9-7-18(24)8-10-20/h3-10,19,26H,1-2,11-15H2,(H,25,28)
InChIKeyIGPAELNDXYXZIP-UHFFFAOYSA-N
XLogP1.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
Benzene-1,4-disulfonic acid 1-amide 4-[(2-fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amide]
CID 651352
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
2-(Benzenesulfonyl-benzyl-amino)-N-(3-methoxy-propyl)-acetamide
CID 3114017
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
N-(2-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206899
N-(4-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206901
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 N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207022) is N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is O=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is IGPAELNDXYXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O5S/c23-17-5-3-16(4-6-17)14-27(15-21(28)25-12-19-2-1-11-32-19)22(29)13-26-33(30,31)20-9-7-18(24)8-10-20/h3-10,19,26H,1-2,11-15H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 481.52 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).