2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide

C22H29N3O3S — CID 42929211

IUPAC2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-17(22(26)24-20-9-11-21(12-10-20)29(23,27)28)25-15-13-19(14-16-25)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyINTBAQLLQMYIKL-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide

2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 42929211) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID42929211
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-17(22(26)24-20-9-11-21(12-10-20)29(23,27)28)25-15-13-19(14-16-25)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyINTBAQLLQMYIKL-UHFFFAOYSA-N
XLogP3.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide (CID 42929211) is 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is INTBAQLLQMYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17(22(26)24-20-9-11-21(12-10-20)29(23,27)28)25-15-13-19(14-16-25)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 42929211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).