N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide

C22H28N2O5S — CID 17353443

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O5S/c1-28-15-16-29-20-11-7-17(8-12-20)22(25)23-18-9-13-21(14-10-18)30(26,27)24-19-5-3-2-4-6-19/h7-14,19,24H,2-6,15-16H2,1H3,(H,23,25)
InChIKeyDVZXAMQADFHTPX-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.58
Rot. Bonds9

About N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide

N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide (PubChem CID 17353443) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
PubChem CID17353443
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O5S/c1-28-15-16-29-20-11-7-17(8-12-20)22(25)23-18-9-13-21(14-10-18)30(26,27)24-19-5-3-2-4-6-19/h7-14,19,24H,2-6,15-16H2,1H3,(H,23,25)
InChIKeyDVZXAMQADFHTPX-UHFFFAOYSA-N
XLogP3.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.58
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

N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948886
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357163
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide (CID 17353443) is N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is DVZXAMQADFHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-28-15-16-29-20-11-7-17(8-12-20)22(25)23-18-9-13-21(14-10-18)30(26,27)24-19-5-3-2-4-6-19/h7-14,19,24H,2-6,15-16H2,1H3,(H,23,25).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 432.54 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17353443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).