N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide

C20H33N5O3S — CID 55816286

IUPACN-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(N2CCN(C(C)C(=O)NC3CC3)CC2)nc1
InChIInChI=1S/C20H33N5O3S/c1-4-16(5-2)23-29(27,28)18-8-9-19(21-14-18)25-12-10-24(11-13-25)15(3)20(26)22-17-6-7-17/h8-9,14-17,23H,4-7,10-13H2,1-3H3,(H,22,26)
InChIKeyROOWHCJITMJOAR-UHFFFAOYSA-N
MW423.58 g/mol
LogP1.34
Rot. Bonds9

About N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide (PubChem CID 55816286) has the molecular formula C20H33N5O3S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
PubChem CID55816286
Molecular FormulaC20H33N5O3S
Molecular Weight423.58 g/mol
Exact Mass423.23
IUPAC NameN-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(N2CCN(C(C)C(=O)NC3CC3)CC2)nc1
InChIInChI=1S/C20H33N5O3S/c1-4-16(5-2)23-29(27,28)18-8-9-19(21-14-18)25-12-10-24(11-13-25)15(3)20(26)22-17-6-7-17/h8-9,14-17,23H,4-7,10-13H2,1-3H3,(H,22,26)
InChIKeyROOWHCJITMJOAR-UHFFFAOYSA-N
XLogP1.34
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide
CID 133305726
5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106763
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 94810988
(2S)-N-(4-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 29431320
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonylamino]cyclohexyl]carbamic acid
CID 174214991
N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
CID 133287695
6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816285
6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide
CID 60578931
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 95332454

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide (CID 55816286) is N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide is CCC(CC)NS(=O)(=O)c1ccc(N2CCN(C(C)C(=O)NC3CC3)CC2)nc1.
What is the InChIKey of N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The InChIKey is ROOWHCJITMJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3S/c1-4-16(5-2)23-29(27,28)18-8-9-19(21-14-18)25-12-10-24(11-13-25)15(3)20(26)22-17-6-7-17/h8-9,14-17,23H,4-7,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide has a molecular weight of 423.58 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55816286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).