N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide

C22H30N2O4S — CID 4935093

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-6-7-16-28-19-12-8-17(9-13-19)21(25)23-18-10-14-20(15-11-18)29(26,27)24-22(2,3)4/h8-15,24H,5-7,16H2,1-4H3,(H,23,25)
InChIKeySEUQHUSJABTFJF-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.58
Rot. Bonds9

About N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide

N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide (PubChem CID 4935093) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
PubChem CID4935093
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-6-7-16-28-19-12-8-17(9-13-19)21(25)23-18-10-14-20(15-11-18)29(26,27)24-22(2,3)4/h8-15,24H,5-7,16H2,1-4H3,(H,23,25)
InChIKeySEUQHUSJABTFJF-UHFFFAOYSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.58
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

4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4936615
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1311332
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953046
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide (CID 4935093) is N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide?
The InChIKey is SEUQHUSJABTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-6-7-16-28-19-12-8-17(9-13-19)21(25)23-18-10-14-20(15-11-18)29(26,27)24-22(2,3)4/h8-15,24H,5-7,16H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide?
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide has a molecular weight of 418.56 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 4935093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).