3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide

C26H35N3O4S — CID 20968455

IUPAC3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1
InChIInChI=1S/C26H35N3O4S/c1-4-22-8-5-6-16-29(22)17-7-15-27-26(31)21-11-14-25(24(18-21)28-20(3)30)34(32,33)23-12-9-19(2)10-13-23/h9-14,18,22H,4-8,15-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyJOQICFLODYVKHY-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.17
Rot. Bonds9

About 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide

3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide (PubChem CID 20968455) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide
PubChem CID20968455
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1
InChIInChI=1S/C26H35N3O4S/c1-4-22-8-5-6-16-29(22)17-7-15-27-26(31)21-11-14-25(24(18-21)28-20(3)30)34(32,33)23-12-9-19(2)10-13-23/h9-14,18,22H,4-8,15-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyJOQICFLODYVKHY-UHFFFAOYSA-N
XLogP4.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide 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

3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
ethyl 3-[3-[(2R)-2-ethylpiperidin-1-yl]propylcarbamothioylamino]-4-methylbenzoate
CID 125047850
ethyl 3-[3-[(2S)-2-ethylpiperidin-1-yl]propylcarbamothioylamino]-4-methylbenzoate
CID 100686658
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide (CID 20968455) is 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide is CCC1CCCCN1CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is JOQICFLODYVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-4-22-8-5-6-16-29(22)17-7-15-27-26(31)21-11-14-25(24(18-21)28-20(3)30)34(32,33)23-12-9-19(2)10-13-23/h9-14,18,22H,4-8,15-17H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide?
3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 485.65 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 20968455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).