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

C21H27FN4O6S — CID 3207001

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C21H27FN4O6S/c22-17-3-5-19(6-4-17)33(29,30)24-15-21(28)26(8-7-25-9-12-31-13-10-25)16-20(27)23-14-18-2-1-11-32-18/h1-6,11,24H,7-10,12-16H2,(H,23,27)
InChIKeyCSYIOGPWNYURTM-UHFFFAOYSA-N
MW482.53 g/mol
LogP0.17
Rot. Bonds11

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

2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 3207001) has the molecular formula C21H27FN4O6S and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID3207001
Molecular FormulaC21H27FN4O6S
Molecular Weight482.53 g/mol
Exact Mass482.16
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C21H27FN4O6S/c22-17-3-5-19(6-4-17)33(29,30)24-15-21(28)26(8-7-25-9-12-31-13-10-25)16-20(27)23-14-18-2-1-11-32-18/h1-6,11,24H,7-10,12-16H2,(H,23,27)
InChIKeyCSYIOGPWNYURTM-UHFFFAOYSA-N
XLogP0.17
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide with MolForge

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207077
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 3206990
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3207100
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 4253223
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4102871
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5244604
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 5172086
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 4103052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 3207001) is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(CN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is CSYIOGPWNYURTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O6S/c22-17-3-5-19(6-4-17)33(29,30)24-15-21(28)26(8-7-25-9-12-31-13-10-25)16-20(27)23-14-18-2-1-11-32-18/h1-6,11,24H,7-10,12-16H2,(H,23,27).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 482.53 g/mol, XLogP of 0.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 3207001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).