N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide

C22H29N3O3S — CID 41438320

IUPACN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c23-29(27,28)21-11-8-18(9-12-21)10-13-22(26)24-16-19-6-2-3-7-20(19)17-25-14-4-1-5-15-25/h2-3,6-9,11-12H,1,4-5,10,13-17H2,(H,24,26)(H2,23,27,28)
InChIKeyAQLSLLGXDMYZNQ-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.57
Rot. Bonds8

About N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 41438320) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID41438320
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c23-29(27,28)21-11-8-18(9-12-21)10-13-22(26)24-16-19-6-2-3-7-20(19)17-25-14-4-1-5-15-25/h2-3,6-9,11-12H,1,4-5,10,13-17H2,(H,24,26)(H2,23,27,28)
InChIKeyAQLSLLGXDMYZNQ-UHFFFAOYSA-N
XLogP2.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31949495
3-(2-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644779
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34554888
2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969055
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55615606
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729

Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide (CID 41438320) is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is AQLSLLGXDMYZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c23-29(27,28)21-11-8-18(9-12-21)10-13-22(26)24-16-19-6-2-3-7-20(19)17-25-14-4-1-5-15-25/h2-3,6-9,11-12H,1,4-5,10,13-17H2,(H,24,26)(H2,23,27,28).
What are the key properties of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide?
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 41438320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).