N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide

C24H27N3O5S — CID 655047

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H27N3O5S/c1-19-9-11-22(12-10-19)33(30,31)26-17-24(29)27(14-13-20-6-3-2-4-7-20)18-23(28)25-16-21-8-5-15-32-21/h2-12,15,26H,13-14,16-18H2,1H3,(H,25,28)
InChIKeyCZBQIVGAJOGMSU-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.25
Rot. Bonds11

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 655047) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID655047
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H27N3O5S/c1-19-9-11-22(12-10-19)33(30,31)26-17-24(29)27(14-13-20-6-3-2-4-7-20)18-23(28)25-16-21-8-5-15-32-21/h2-12,15,26H,13-14,16-18H2,1H3,(H,25,28)
InChIKeyCZBQIVGAJOGMSU-UHFFFAOYSA-N
XLogP2.25
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide (CID 655047) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is CZBQIVGAJOGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-19-9-11-22(12-10-19)33(30,31)26-17-24(29)27(14-13-20-6-3-2-4-7-20)18-23(28)25-16-21-8-5-15-32-21/h2-12,15,26H,13-14,16-18H2,1H3,(H,25,28).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 469.56 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 655047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).