3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide

C25H35N3O3S — CID 55387130

IUPAC3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(CCC)CC3)c2)cc1
InChIInChI=1S/C25H35N3O3S/c1-3-5-7-20-10-12-23(13-11-20)27-32(30,31)24-9-6-8-21(19-24)25(29)26-22-14-17-28(16-4-2)18-15-22/h6,8-13,19,22,27H,3-5,7,14-18H2,1-2H3,(H,26,29)
InChIKeyRHQYJGDGCNIANF-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.43
Rot. Bonds10

About 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide

3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 55387130) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID55387130
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC Name3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(CCC)CC3)c2)cc1
InChIInChI=1S/C25H35N3O3S/c1-3-5-7-20-10-12-23(13-11-20)27-32(30,31)24-9-6-8-21(19-24)25(29)26-22-14-17-28(16-4-2)18-15-22/h6,8-13,19,22,27H,3-5,7,14-18H2,1-2H3,(H,26,29)
InChIKeyRHQYJGDGCNIANF-UHFFFAOYSA-N
XLogP4.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
N-cyclopropyl-3-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109062324
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55386926
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 55628674
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide (CID 55387130) is 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide is CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(CCC)CC3)c2)cc1.
What is the InChIKey of 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is RHQYJGDGCNIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-3-5-7-20-10-12-23(13-11-20)27-32(30,31)24-9-6-8-21(19-24)25(29)26-22-14-17-28(16-4-2)18-15-22/h6,8-13,19,22,27H,3-5,7,14-18H2,1-2H3,(H,26,29).
What are the key properties of 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 457.64 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55387130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).