N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C25H28N2O5S — CID 42773241

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H28N2O5S/c1-31-17-15-27(33(29,30)18-14-22-9-4-2-5-10-22)21-25(28)26(20-24-13-8-16-32-24)19-23-11-6-3-7-12-23/h2-14,16,18H,15,17,19-21H2,1H3/b18-14+
InChIKeyGPFZJFSCOMHLKE-NBVRZTHBSA-N
MW468.58 g/mol
LogP3.76
Rot. Bonds12

About N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 42773241) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID42773241
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H28N2O5S/c1-31-17-15-27(33(29,30)18-14-22-9-4-2-5-10-22)21-25(28)26(20-24-13-8-16-32-24)19-23-11-6-3-7-12-23/h2-14,16,18H,15,17,19-21H2,1H3/b18-14+
InChIKeyGPFZJFSCOMHLKE-NBVRZTHBSA-N
XLogP3.76
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-ethoxypropyl(2-phenylethenylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5098727
N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 6142760
N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4534896
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
N-(furan-2-ylmethyl)-2-phenyl-N-(2-phenylethyl)ethenesulfonamide
CID 1058730
N-benzyl-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4518262
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017
N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5034332

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 42773241) is N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is GPFZJFSCOMHLKE-NBVRZTHBSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-31-17-15-27(33(29,30)18-14-22-9-4-2-5-10-22)21-25(28)26(20-24-13-8-16-32-24)19-23-11-6-3-7-12-23/h2-14,16,18H,15,17,19-21H2,1H3/b18-14+.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.76, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 42773241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).