N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C26H30N2O4S2 — CID 4534896

IUPACN-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C26H30N2O4S2/c1-22-13-17-33-25(22)20-27(19-24-11-7-4-8-12-24)26(29)21-28(15-16-32-2)34(30,31)18-14-23-9-5-3-6-10-23/h3-14,17-18H,15-16,19-21H2,1-2H3
InChIKeyWYQOFJZRSOVOGP-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.53
Rot. Bonds12

About N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 4534896) has the molecular formula C26H30N2O4S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID4534896
Molecular FormulaC26H30N2O4S2
Molecular Weight498.67 g/mol
Exact Mass498.16
IUPAC NameN-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C26H30N2O4S2/c1-22-13-17-33-25(22)20-27(19-24-11-7-4-8-12-24)26(29)21-28(15-16-32-2)34(30,31)18-14-23-9-5-3-6-10-23/h3-14,17-18H,15-16,19-21H2,1-2H3
InChIKeyWYQOFJZRSOVOGP-UHFFFAOYSA-N
XLogP4.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 6142760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-methoxypropyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 6075805
N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42773241
N-benzyl-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4258058
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5064445
2-[butan-2-yl(2-phenylethenylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5128751
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4608074
2-[cyclohexyl(2-phenylethenylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5057147
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 42776528
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3627768
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3549449
N-benzyl-2-[butylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4687290

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 4534896) is N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is WYQOFJZRSOVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S2/c1-22-13-17-33-25(22)20-27(19-24-11-7-4-8-12-24)26(29)21-28(15-16-32-2)34(30,31)18-14-23-9-5-3-6-10-23/h3-14,17-18H,15-16,19-21H2,1-2H3.
What are the key properties of N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 498.67 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 4534896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).