4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide

C21H28N2O5S — CID 9219938

IUPAC4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O5S/c1-16(2)23(3)29(25,26)20-13-7-17(8-14-20)22-21(24)6-5-15-28-19-11-9-18(27-4)10-12-19/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyFZFDCYLZLUEJJA-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.52
Rot. Bonds10

About 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide

4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide (PubChem CID 9219938) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide
PubChem CID9219938
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O5S/c1-16(2)23(3)29(25,26)20-13-7-17(8-14-20)22-21(24)6-5-15-28-19-11-9-18(27-4)10-12-19/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyFZFDCYLZLUEJJA-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.52
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
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
3-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 108802951
1-(4-methoxyphenyl)-2-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111079836
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 18593163
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide (CID 9219938) is 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide is COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is FZFDCYLZLUEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16(2)23(3)29(25,26)20-13-7-17(8-14-20)22-21(24)6-5-15-28-19-11-9-18(27-4)10-12-19/h7-14,16H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide?
4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 420.53 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 9219938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).