N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

C21H19F2N3O5S — CID 3207077

IUPACN-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1)NCc1ccco1
InChIInChI=1S/C21H19F2N3O5S/c22-15-6-8-19(9-7-15)32(29,30)25-13-21(28)26(17-4-1-3-16(23)11-17)14-20(27)24-12-18-5-2-10-31-18/h1-11,25H,12-14H2,(H,24,27)
InChIKeyIFPDYMDGWOEOFC-UHFFFAOYSA-N
MW463.46 g/mol
LogP2.19
Rot. Bonds9

About N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 3207077) has the molecular formula C21H19F2N3O5S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID3207077
Molecular FormulaC21H19F2N3O5S
Molecular Weight463.46 g/mol
Exact Mass463.10
IUPAC NameN-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1)NCc1ccco1
InChIInChI=1S/C21H19F2N3O5S/c22-15-6-8-19(9-7-15)32(29,30)25-13-21(28)26(17-4-1-3-16(23)11-17)14-20(27)24-12-18-5-2-10-31-18/h1-11,25H,12-14H2,(H,24,27)
InChIKeyIFPDYMDGWOEOFC-UHFFFAOYSA-N
XLogP2.19
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 3206990
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 3207001
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254473
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
CID 3206862
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
CID 3206997
N-[(4-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 4831855
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 3207077) is N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is O=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1)NCc1ccco1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is IFPDYMDGWOEOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O5S/c22-15-6-8-19(9-7-15)32(29,30)25-13-21(28)26(17-4-1-3-16(23)11-17)14-20(27)24-12-18-5-2-10-31-18/h1-11,25H,12-14H2,(H,24,27).
What are the key properties of N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 463.46 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3207077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).