2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide

C21H27N3O6S2 — CID 644798

IUPAC2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
SMILESCOCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-30-16-15-24(17-21(25)22-18-7-3-2-4-8-18)32(28,29)20-11-9-19(10-12-20)31(26,27)23-13-5-6-14-23/h2-4,7-12H,5-6,13-17H2,1H3,(H,22,25)
InChIKeyVIZLECKXMJJKII-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.75
Rot. Bonds10

About 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide

2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide (PubChem CID 644798) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
PubChem CID644798
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
SMILESCOCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-30-16-15-24(17-21(25)22-18-7-3-2-4-8-18)32(28,29)20-11-9-19(10-12-20)31(26,27)23-13-5-6-14-23/h2-4,7-12H,5-6,13-17H2,1H3,(H,22,25)
InChIKeyVIZLECKXMJJKII-UHFFFAOYSA-N
XLogP1.75
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide (CID 644798) is 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide is COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The InChIKey is VIZLECKXMJJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-30-16-15-24(17-21(25)22-18-7-3-2-4-8-18)32(28,29)20-11-9-19(10-12-20)31(26,27)23-13-5-6-14-23/h2-4,7-12H,5-6,13-17H2,1H3,(H,22,25).
What are the key properties of 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide has a molecular weight of 481.60 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 644798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).