2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide

C14H15FN2O4S — CID 1085430

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyHGVYDCQVWKUHRJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.36
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1085430) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1085430
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyHGVYDCQVWKUHRJ-UHFFFAOYSA-N
XLogP1.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide (CID 1085430) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide is CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HGVYDCQVWKUHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1085430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).