N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide

C12H18N2O3S — CID 95473955

IUPACN-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide
SMILESCCNCCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-13-8-9-18(16,17)12-6-4-11(5-7-12)14-10(2)15/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKeySXYHMUYJEIGSCC-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.03
Rot. Bonds6

About N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide

N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide (PubChem CID 95473955) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide
PubChem CID95473955
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide
SMILESCCNCCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-13-8-9-18(16,17)12-6-4-11(5-7-12)14-10(2)15/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKeySXYHMUYJEIGSCC-UHFFFAOYSA-N
XLogP1.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.03
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

4-[2-(ethylamino)ethylsulfonyl]aniline
CID 154432818
3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416392
3-(4-acetamidophenyl)sulfonylpropyl acetate
CID 86188958
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
CID 110406865
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
ethyl 4-acetamidobenzenesulfonate
CID 91726392
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide (CID 95473955) is N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide is CCNCCS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide?
The InChIKey is SXYHMUYJEIGSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-13-8-9-18(16,17)12-6-4-11(5-7-12)14-10(2)15/h4-7,13H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide?
N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide is sourced from PubChem (CID 95473955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).