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

C23H24FN3O6S — CID 3206963

IUPACN-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H24FN3O6S/c1-32-19-8-10-21(11-9-19)34(30,31)26-14-23(29)27(15-17-4-6-18(24)7-5-17)16-22(28)25-13-20-3-2-12-33-20/h2-12,26H,13-16H2,1H3,(H,25,28)
InChIKeyHRERUHBWBPCCEH-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.05
Rot. Bonds11

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

N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 3206963) has the molecular formula C23H24FN3O6S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID3206963
Molecular FormulaC23H24FN3O6S
Molecular Weight489.53 g/mol
Exact Mass489.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H24FN3O6S/c1-32-19-8-10-21(11-9-19)34(30,31)26-14-23(29)27(15-17-4-6-18(24)7-5-17)16-22(28)25-13-20-3-2-12-33-20/h2-12,26H,13-16H2,1H3,(H,25,28)
InChIKeyHRERUHBWBPCCEH-UHFFFAOYSA-N
XLogP2.05
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 3206963) is N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is HRERUHBWBPCCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O6S/c1-32-19-8-10-21(11-9-19)34(30,31)26-14-23(29)27(15-17-4-6-18(24)7-5-17)16-22(28)25-13-20-3-2-12-33-20/h2-12,26H,13-16H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 489.53 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 3206963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).