3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C18H29N3O3S — CID 46685647

IUPAC3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC1CC(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C18H29N3O3S/c1-14-11-15(2)13-21(12-14)10-8-18(22)20-9-7-16-3-5-17(6-4-16)25(19,23)24/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyHULXGINMXPMNGB-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.36
Rot. Bonds7

About 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 46685647) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID46685647
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC1CC(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C18H29N3O3S/c1-14-11-15(2)13-21(12-14)10-8-18(22)20-9-7-16-3-5-17(6-4-16)25(19,23)24/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyHULXGINMXPMNGB-UHFFFAOYSA-N
XLogP1.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 120775592
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2576005
3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 56526997
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47189594
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 46685647) is 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC1CC(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is HULXGINMXPMNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-11-15(2)13-21(12-14)10-8-18(22)20-9-7-16-3-5-17(6-4-16)25(19,23)24/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 367.52 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 46685647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).