N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide

C22H31N3O6S2 — CID 19257784

IUPACN-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1
InChIInChI=1S/C22H31N3O6S2/c1-5-8-15-23-32(27,28)18-11-9-17(10-12-18)24-22(26)20-16-19(13-14-21(20)31-4)33(29,30)25(6-2)7-3/h9-14,16,23H,5-8,15H2,1-4H3,(H,24,26)
InChIKeyHLDYBWXQWWVAFV-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.06
Rot. Bonds12

About N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide

N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide (PubChem CID 19257784) has the molecular formula C22H31N3O6S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
PubChem CID19257784
Molecular FormulaC22H31N3O6S2
Molecular Weight497.64 g/mol
Exact Mass497.17
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1
InChIInChI=1S/C22H31N3O6S2/c1-5-8-15-23-32(27,28)18-11-9-17(10-12-18)24-22(26)20-16-19(13-14-21(20)31-4)33(29,30)25(6-2)7-3/h9-14,16,23H,5-8,15H2,1-4H3,(H,24,26)
InChIKeyHLDYBWXQWWVAFV-UHFFFAOYSA-N
XLogP3.06
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17094279
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 17226790
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide (CID 19257784) is N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide is CCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide?
The InChIKey is HLDYBWXQWWVAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S2/c1-5-8-15-23-32(27,28)18-11-9-17(10-12-18)24-22(26)20-16-19(13-14-21(20)31-4)33(29,30)25(6-2)7-3/h9-14,16,23H,5-8,15H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide?
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide has a molecular weight of 497.64 g/mol, XLogP of 3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 19257784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).