N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide

C20H25N3O5S — CID 108573113

IUPACN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-28-18-8-4-16(5-9-18)14-20(25)21-12-13-22-29(26,27)19-10-6-17(7-11-19)23-15(2)24/h4-11,22H,3,12-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyYIIDQXQKVVVSBT-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.68
Rot. Bonds10

About N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 108573113) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID108573113
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-28-18-8-4-16(5-9-18)14-20(25)21-12-13-22-29(26,27)19-10-6-17(7-11-19)23-15(2)24/h4-11,22H,3,12-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyYIIDQXQKVVVSBT-UHFFFAOYSA-N
XLogP1.68
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574942
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide (CID 108573113) is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is YIIDQXQKVVVSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-28-18-8-4-16(5-9-18)14-20(25)21-12-13-22-29(26,27)19-10-6-17(7-11-19)23-15(2)24/h4-11,22H,3,12-14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 108573113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).