3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C23H31N3O5S2 — CID 17226865

IUPAC3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C23H31N3O5S2/c1-3-4-14-24-32(28,29)22-9-5-8-19(16-22)23(27)25-20-10-12-21(13-11-20)33(30,31)26-15-6-7-18(2)17-26/h5,8-13,16,18,24H,3-4,6-7,14-15,17H2,1-2H3,(H,25,27)
InChIKeyKCUCTVKVRQJLML-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.44
Rot. Bonds9

About 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17226865) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID17226865
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC Name3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C23H31N3O5S2/c1-3-4-14-24-32(28,29)22-9-5-8-19(16-22)23(27)25-20-10-12-21(13-11-20)33(30,31)26-15-6-7-18(2)17-26/h5,8-13,16,18,24H,3-4,6-7,14-15,17H2,1-2H3,(H,25,27)
InChIKeyKCUCTVKVRQJLML-UHFFFAOYSA-N
XLogP3.44
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829385
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 17226865) is 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is KCUCTVKVRQJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-3-4-14-24-32(28,29)22-9-5-8-19(16-22)23(27)25-20-10-12-21(13-11-20)33(30,31)26-15-6-7-18(2)17-26/h5,8-13,16,18,24H,3-4,6-7,14-15,17H2,1-2H3,(H,25,27).
What are the key properties of 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 493.65 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17226865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).