N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide

C19H31N3O3S — CID 86919357

IUPACN-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESCCc1ccc(C(C)NC(=O)C(C)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-5-16-6-8-17(9-7-16)14(2)20-19(23)15(3)22-12-10-18(11-13-22)21-26(4,24)25/h6-9,14-15,18,21H,5,10-13H2,1-4H3,(H,20,23)
InChIKeyGPLNROQQLICJHI-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.83
Rot. Bonds7

About N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide

N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide (PubChem CID 86919357) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
PubChem CID86919357
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESCCc1ccc(C(C)NC(=O)C(C)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-5-16-6-8-17(9-7-16)14(2)20-19(23)15(3)22-12-10-18(11-13-22)21-26(4,24)25/h6-9,14-15,18,21H,5,10-13H2,1-4H3,(H,20,23)
InChIKeyGPLNROQQLICJHI-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
N-[1-(4-chlorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914573
N-[1-(4-ethylphenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55474200
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
(2S)-2-[4-(methanesulfonamido)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 41331851
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 42122346
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 94782531
N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide
CID 130440772

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide (CID 86919357) is N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide is CCc1ccc(C(C)NC(=O)C(C)N2CCC(NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The InChIKey is GPLNROQQLICJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-5-16-6-8-17(9-7-16)14(2)20-19(23)15(3)22-12-10-18(11-13-22)21-26(4,24)25/h6-9,14-15,18,21H,5,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide has a molecular weight of 381.54 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide is sourced from PubChem (CID 86919357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).