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

C18H21BrN2O4S — CID 108573109

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-2-25-16-7-3-14(4-8-16)13-18(22)20-11-12-21-26(23,24)17-9-5-15(19)6-10-17/h3-10,21H,2,11-13H2,1H3,(H,20,22)
InChIKeyQFPHBNBJNHHJKV-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.48
Rot. Bonds9

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

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 108573109) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID108573109
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-2-25-16-7-3-14(4-8-16)13-18(22)20-11-12-21-26(23,24)17-9-5-15(19)6-10-17/h3-10,21H,2,11-13H2,1H3,(H,20,22)
InChIKeyQFPHBNBJNHHJKV-UHFFFAOYSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
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
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
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide (CID 108573109) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is QFPHBNBJNHHJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-2-25-16-7-3-14(4-8-16)13-18(22)20-11-12-21-26(23,24)17-9-5-15(19)6-10-17/h3-10,21H,2,11-13H2,1H3,(H,20,22).
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 108573109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).