3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C22H28N2O4S — CID 17140290

IUPAC3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O4S/c1-17(2)16-28-20-8-6-7-18(15-20)22(25)23-19-9-11-21(12-10-19)29(26,27)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25)
InChIKeyFUFPRQNCFZGKMX-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.15
Rot. Bonds7

About 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 17140290) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID17140290
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O4S/c1-17(2)16-28-20-8-6-7-18(15-20)22(25)23-19-9-11-21(12-10-19)29(26,27)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25)
InChIKeyFUFPRQNCFZGKMX-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)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

3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4955260
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3-methoxybenzamide
CID 17226245

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 17140290) is 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is FUFPRQNCFZGKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(2)16-28-20-8-6-7-18(15-20)22(25)23-19-9-11-21(12-10-19)29(26,27)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 17140290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).