N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide

C25H28N2O5S — CID 21173979

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-31-22-14-8-21(9-15-22)27-33(29,30)24-16-10-20(11-17-24)26-25(28)5-4-18-32-23-12-6-19(2)7-13-23/h6-17,27H,3-5,18H2,1-2H3,(H,26,28)
InChIKeyBNXIUSYSZKZRSQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.99
Rot. Bonds11

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide (PubChem CID 21173979) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
PubChem CID21173979
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-31-22-14-8-21(9-15-22)27-33(29,30)24-16-10-20(11-17-24)26-25(28)5-4-18-32-23-12-6-19(2)7-13-23/h6-17,27H,3-5,18H2,1-2H3,(H,26,28)
InChIKeyBNXIUSYSZKZRSQ-UHFFFAOYSA-N
XLogP4.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-(dimethylsulfamoyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 8917809
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide (CID 21173979) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is BNXIUSYSZKZRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-3-31-22-14-8-21(9-15-22)27-33(29,30)24-16-10-20(11-17-24)26-25(28)5-4-18-32-23-12-6-19(2)7-13-23/h6-17,27H,3-5,18H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 468.58 g/mol, XLogP of 4.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 21173979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).