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

C20H33N3O4S — CID 55723405

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C20H33N3O4S/c1-4-27-18-5-7-19(8-6-18)28(25,26)22-10-9-20(24)21-11-12-23-14-16(2)13-17(3)15-23/h5-8,16-17,22H,4,9-15H2,1-3H3,(H,21,24)
InChIKeyPXHOMQSGHAZFHK-UHFFFAOYSA-N
MW411.57 g/mol
LogP1.85
Rot. Bonds10

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

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 55723405) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID55723405
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C20H33N3O4S/c1-4-27-18-5-7-19(8-6-18)28(25,26)22-10-9-20(24)21-11-12-23-14-16(2)13-17(3)15-23/h5-8,16-17,22H,4,9-15H2,1-3H3,(H,21,24)
InChIKeyPXHOMQSGHAZFHK-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[2-(3-methylpiperidin-1-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55723188
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108572147
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 55847760
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 55723405) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is PXHOMQSGHAZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-4-27-18-5-7-19(8-6-18)28(25,26)22-10-9-20(24)21-11-12-23-14-16(2)13-17(3)15-23/h5-8,16-17,22H,4,9-15H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 411.57 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55723405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).