N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide

C23H32N2O4S — CID 17160198

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-4-6-7-8-17-29-21-13-9-19(10-14-21)23(26)24-20-11-15-22(16-12-20)30(27,28)25-18(3)5-2/h9-16,18,25H,4-8,17H2,1-3H3,(H,24,26)
InChIKeyXPRWVBIQRNJDGI-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.97
Rot. Bonds12

About N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide (PubChem CID 17160198) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
PubChem CID17160198
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-4-6-7-8-17-29-21-13-9-19(10-14-21)23(26)24-20-11-15-22(16-12-20)30(27,28)25-18(3)5-2/h9-16,18,25H,4-8,17H2,1-3H3,(H,24,26)
InChIKeyXPRWVBIQRNJDGI-UHFFFAOYSA-N
XLogP4.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.97
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

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-butoxybenzamide
CID 17160335
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide (CID 17160198) is N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide?
The InChIKey is XPRWVBIQRNJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-4-6-7-8-17-29-21-13-9-19(10-14-21)23(26)24-20-11-15-22(16-12-20)30(27,28)25-18(3)5-2/h9-16,18,25H,4-8,17H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide has a molecular weight of 432.59 g/mol, XLogP of 4.97, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide is sourced from PubChem (CID 17160198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).