2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide

C13H20ClN3O4S — CID 120716467

IUPAC2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
SMILESCCCNCCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C13H20ClN3O4S/c1-2-5-16-6-7-17-22(19,20)12-8-10(14)3-4-11(12)21-9-13(15)18/h3-4,8,16-17H,2,5-7,9H2,1H3,(H2,15,18)
InChIKeyMQRLRYSTGJMMEZ-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.48
Rot. Bonds10

About 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide

2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide (PubChem CID 120716467) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
PubChem CID120716467
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
SMILESCCCNCCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O
InChIInChI=1S/C13H20ClN3O4S/c1-2-5-16-6-7-17-22(19,20)12-8-10(14)3-4-11(12)21-9-13(15)18/h3-4,8,16-17H,2,5-7,9H2,1H3,(H2,15,18)
InChIKeyMQRLRYSTGJMMEZ-UHFFFAOYSA-N
XLogP0.48
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.48
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

5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716096
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
methyl 3-chloro-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716497
2-[2-(carbamoylamino)-4-chlorophenoxy]acetamide
CID 141161863

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide (CID 120716467) is 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide is CCCNCCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide?
The InChIKey is MQRLRYSTGJMMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O4S/c1-2-5-16-6-7-17-22(19,20)12-8-10(14)3-4-11(12)21-9-13(15)18/h3-4,8,16-17H,2,5-7,9H2,1H3,(H2,15,18).
What are the key properties of 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide?
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide has a molecular weight of 349.84 g/mol, XLogP of 0.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 120716467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).