3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide

C22H31N3O6S2 — CID 17226790

IUPAC3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c1
InChIInChI=1S/C22H31N3O6S2/c1-5-8-14-23-32(27,28)18-11-9-10-17(15-18)22(26)24-20-16-19(12-13-21(20)31-4)33(29,30)25(6-2)7-3/h9-13,15-16,23H,5-8,14H2,1-4H3,(H,24,26)
InChIKeyBUGZCSFRRBEIOD-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.06
Rot. Bonds12

About 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide

3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide (PubChem CID 17226790) has the molecular formula C22H31N3O6S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
PubChem CID17226790
Molecular FormulaC22H31N3O6S2
Molecular Weight497.64 g/mol
Exact Mass497.17
IUPAC Name3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c1
InChIInChI=1S/C22H31N3O6S2/c1-5-8-14-23-32(27,28)18-11-9-10-17(15-18)22(26)24-20-16-19(12-13-21(20)31-4)33(29,30)25(6-2)7-3/h9-13,15-16,23H,5-8,14H2,1-4H3,(H,24,26)
InChIKeyBUGZCSFRRBEIOD-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

3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide (CID 17226790) is 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
The InChIKey is BUGZCSFRRBEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S2/c1-5-8-14-23-32(27,28)18-11-9-10-17(15-18)22(26)24-20-16-19(12-13-21(20)31-4)33(29,30)25(6-2)7-3/h9-13,15-16,23H,5-8,14H2,1-4H3,(H,24,26).
What are the key properties of 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide 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 3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 17226790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).