N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide

C17H20N2O4S — CID 2604521

IUPACN-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-3-7-16(8-4-13)23-12-11-18-24(21,22)17-9-5-15(6-10-17)19-14(2)20/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyFXCOVSZICYRKEZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.31
Rot. Bonds7

About N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide (PubChem CID 2604521) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
PubChem CID2604521
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-3-7-16(8-4-13)23-12-11-18-24(21,22)17-9-5-15(6-10-17)19-14(2)20/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyFXCOVSZICYRKEZ-UHFFFAOYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.31
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

2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365795
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
1-[2-(4-chlorophenoxy)ethyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 36506005
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24517360
N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide (CID 2604521) is N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is FXCOVSZICYRKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-3-7-16(8-4-13)23-12-11-18-24(21,22)17-9-5-15(6-10-17)19-14(2)20/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2604521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).