2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide

C23H25FN2O4S — CID 24641979

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide
SMILESCC(CCc1ccco1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O4S/c1-17(13-14-19-10-7-15-30-19)25-23(27)21(16-18-8-3-2-4-9-18)26-31(28,29)22-12-6-5-11-20(22)24/h2-12,15,17,21,26H,13-14,16H2,1H3,(H,25,27)
InChIKeyXNMOSTWFBYYJFJ-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.45
Rot. Bonds10

About 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide (PubChem CID 24641979) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide
PubChem CID24641979
Molecular FormulaC23H25FN2O4S
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide
SMILESCC(CCc1ccco1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O4S/c1-17(13-14-19-10-7-15-30-19)25-23(27)21(16-18-8-3-2-4-9-18)26-31(28,29)22-12-6-5-11-20(22)24/h2-12,15,17,21,26H,13-14,16H2,1H3,(H,25,27)
InChIKeyXNMOSTWFBYYJFJ-UHFFFAOYSA-N
XLogP3.45
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide (CID 24641979) is 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide is CC(CCc1ccco1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide?
The InChIKey is XNMOSTWFBYYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c1-17(13-14-19-10-7-15-30-19)25-23(27)21(16-18-8-3-2-4-9-18)26-31(28,29)22-12-6-5-11-20(22)24/h2-12,15,17,21,26H,13-14,16H2,1H3,(H,25,27).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide has a molecular weight of 444.53 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 24641979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).