N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide

C21H28N2O5S — CID 171138767

IUPACN-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H28N2O5S/c1-4-27-19-10-12-20(13-11-19)28-14-6-9-21(24)22-18-8-5-7-17(15-18)16-29(25,26)23(2)3/h5,7-8,10-13,15H,4,6,9,14,16H2,1-3H3,(H,22,24)
InChIKeyFOTUTHSOZSUQOD-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.27
Rot. Bonds11

About N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide

N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide (PubChem CID 171138767) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
PubChem CID171138767
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H28N2O5S/c1-4-27-19-10-12-20(13-11-19)28-14-6-9-21(24)22-18-8-5-7-17(15-18)16-29(25,26)23(2)3/h5,7-8,10-13,15H,4,6,9,14,16H2,1-3H3,(H,22,24)
InChIKeyFOTUTHSOZSUQOD-UHFFFAOYSA-N
XLogP3.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
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-(dimethylsulfamoyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 8917809
4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide
CID 171138774
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
N-[3-(ethylaminomethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119438032
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-phenoxybutanamide
CID 55643203
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-[3-(methylsulfonylmethyl)phenyl]-4-pentoxybenzamide
CID 60605378
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
The IUPAC name of N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide (CID 171138767) is N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide is CCOc1ccc(OCCCC(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
The InChIKey is FOTUTHSOZSUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-4-27-19-10-12-20(13-11-19)28-14-6-9-21(24)22-18-8-5-7-17(15-18)16-29(25,26)23(2)3/h5,7-8,10-13,15H,4,6,9,14,16H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide has a molecular weight of 420.53 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide is sourced from PubChem (CID 171138767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).