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

C22H22ClN3O6S — CID 3207151

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O6S/c1-31-18-8-6-17(7-9-18)26(15-21(27)24-13-19-3-2-12-32-19)22(28)14-25-33(29,30)20-10-4-16(23)5-11-20/h2-12,25H,13-15H2,1H3,(H,24,27)
InChIKeyJUSGCLJUAKHMBR-UHFFFAOYSA-N
MW491.95 g/mol
LogP2.57
Rot. Bonds10

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

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3207151) has the molecular formula C22H22ClN3O6S and a molecular weight of 491.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide
PubChem CID3207151
Molecular FormulaC22H22ClN3O6S
Molecular Weight491.95 g/mol
Exact Mass491.09
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O6S/c1-31-18-8-6-17(7-9-18)26(15-21(27)24-13-19-3-2-12-32-19)22(28)14-25-33(29,30)20-10-4-16(23)5-11-20/h2-12,25H,13-15H2,1H3,(H,24,27)
InChIKeyJUSGCLJUAKHMBR-UHFFFAOYSA-N
XLogP2.57
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide (CID 3207151) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JUSGCLJUAKHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O6S/c1-31-18-8-6-17(7-9-18)26(15-21(27)24-13-19-3-2-12-32-19)22(28)14-25-33(29,30)20-10-4-16(23)5-11-20/h2-12,25H,13-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 491.95 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3207151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).