2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide

C22H22FN3O5S — CID 24643173

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F)NCc1ccco1
InChIInChI=1S/C22H22FN3O5S/c23-18-10-4-5-11-20(18)32(29,30)26-19(13-16-7-2-1-3-8-16)22(28)25-15-21(27)24-14-17-9-6-12-31-17/h1-12,19,26H,13-15H2,(H,24,27)(H,25,28)
InChIKeyXNPNJNCGWQXRMI-UHFFFAOYSA-N
MW459.50 g/mol
LogP1.74
Rot. Bonds10

About 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 24643173) has the molecular formula C22H22FN3O5S and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID24643173
Molecular FormulaC22H22FN3O5S
Molecular Weight459.50 g/mol
Exact Mass459.13
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F)NCc1ccco1
InChIInChI=1S/C22H22FN3O5S/c23-18-10-4-5-11-20(18)32(29,30)26-19(13-16-7-2-1-3-8-16)22(28)25-15-21(27)24-14-17-9-6-12-31-17/h1-12,19,26H,13-15H2,(H,24,27)(H,25,28)
InChIKeyXNPNJNCGWQXRMI-UHFFFAOYSA-N
XLogP1.74
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
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CID 55576648
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
[2-(furan-2-ylmethylamino)-2-oxoethyl] (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 2404794
2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 24638426
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55834771
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891194
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55963369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide (CID 24643173) is 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide is O=C(CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F)NCc1ccco1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is XNPNJNCGWQXRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5S/c23-18-10-4-5-11-20(18)32(29,30)26-19(13-16-7-2-1-3-8-16)22(28)25-15-21(27)24-14-17-9-6-12-31-17/h1-12,19,26H,13-15H2,(H,24,27)(H,25,28).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 459.50 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 24643173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).