N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide

C14H23N3O4S — CID 120717366

IUPACN-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCNCCOC)cc1
InChIInChI=1S/C14H23N3O4S/c1-3-14(18)17-12-4-6-13(7-5-12)22(19,20)16-9-8-15-10-11-21-2/h4-7,15-16H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyROXRLDYLQCZXIO-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.55
Rot. Bonds10

About N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide

N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide (PubChem CID 120717366) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
PubChem CID120717366
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCNCCOC)cc1
InChIInChI=1S/C14H23N3O4S/c1-3-14(18)17-12-4-6-13(7-5-12)22(19,20)16-9-8-15-10-11-21-2/h4-7,15-16H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyROXRLDYLQCZXIO-UHFFFAOYSA-N
XLogP0.55
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.55
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-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide (CID 120717366) is N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCNCCOC)cc1.
What is the InChIKey of N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide?
The InChIKey is ROXRLDYLQCZXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-3-14(18)17-12-4-6-13(7-5-12)22(19,20)16-9-8-15-10-11-21-2/h4-7,15-16H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide?
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide has a molecular weight of 329.42 g/mol, XLogP of 0.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 120717366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).