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

C25H28N2O4S2 — CID 6142760

IUPACN-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H28N2O4S2/c1-31-16-15-27(33(29,30)18-14-22-9-4-2-5-10-22)21-25(28)26(20-24-13-8-17-32-24)19-23-11-6-3-7-12-23/h2-14,17-18H,15-16,19-21H2,1H3/b18-14+
InChIKeyJYNFGMOOVZPXRP-NBVRZTHBSA-N
MW484.64 g/mol
LogP4.23
Rot. Bonds12

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

N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 6142760) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID6142760
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC NameN-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H28N2O4S2/c1-31-16-15-27(33(29,30)18-14-22-9-4-2-5-10-22)21-25(28)26(20-24-13-8-17-32-24)19-23-11-6-3-7-12-23/h2-14,17-18H,15-16,19-21H2,1H3/b18-14+
InChIKeyJYNFGMOOVZPXRP-NBVRZTHBSA-N
XLogP4.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4534896
N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42773241
N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913172
N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5161443
N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4566631
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 5056995
ethyl 4-[[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)amino]-4-oxobutanoate
CID 3940148
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3459642
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide
CID 3979411
N-benzyl-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3984327
2-[butyl(2-phenylethenylsulfonyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3957883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 6142760) is N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JYNFGMOOVZPXRP-NBVRZTHBSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-31-16-15-27(33(29,30)18-14-22-9-4-2-5-10-22)21-25(28)26(20-24-13-8-17-32-24)19-23-11-6-3-7-12-23/h2-14,17-18H,15-16,19-21H2,1H3/b18-14+.
What are the key properties of N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.23, 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-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 6142760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).