N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide

C28H38N4O2S — CID 10005956

IUPACN-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide
SMILESCCN1C=C(C)N=C(C2CCN(CCC(c3ccccc3)N(C)S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C28H38N4O2S/c1-4-31-21-23(2)29-27(22-31)24-15-18-32(19-16-24)20-17-28(25-11-7-5-8-12-25)30(3)35(33,34)26-13-9-6-10-14-26/h5-14,21,24,28H,4,15-20,22H2,1-3H3
InChIKeyHHRXVDVGZYBXLQ-UHFFFAOYSA-N
MW494.71 g/mol
LogP4.79
Rot. Bonds9

About N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide

N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide (PubChem CID 10005956) has the molecular formula C28H38N4O2S and a molecular weight of 494.71 g/mol. Its IUPAC name is N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide
PubChem CID10005956
Molecular FormulaC28H38N4O2S
Molecular Weight494.71 g/mol
Exact Mass494.27
IUPAC NameN-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide
SMILESCCN1C=C(C)N=C(C2CCN(CCC(c3ccccc3)N(C)S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C28H38N4O2S/c1-4-31-21-23(2)29-27(22-31)24-15-18-32(19-16-24)20-17-28(25-11-7-5-8-12-25)30(3)35(33,34)26-13-9-6-10-14-26/h5-14,21,24,28H,4,15-20,22H2,1-3H3
InChIKeyHHRXVDVGZYBXLQ-UHFFFAOYSA-N
XLogP4.79
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.71
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide
CID 10324369
N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 23285271
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
CID 23285239
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
N-[2-(4-fluoro-3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285339
N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
CID 102462473
N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 67516363
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-methoxyethyl)carbamate;hydrochloride
CID 18407156
benzyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-methoxyethyl)carbamate;hydrochloride
CID 70151941
[1-(3,3-diphenylpropyl)piperidin-4-yl] 4-methylbenzenesulfonate
CID 58282566

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide (CID 10005956) is N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide is CCN1C=C(C)N=C(C2CCN(CCC(c3ccccc3)N(C)S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide?
The InChIKey is HHRXVDVGZYBXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2S/c1-4-31-21-23(2)29-27(22-31)24-15-18-32(19-16-24)20-17-28(25-11-7-5-8-12-25)30(3)35(33,34)26-13-9-6-10-14-26/h5-14,21,24,28H,4,15-20,22H2,1-3H3.
What are the key properties of N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide?
N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide has a molecular weight of 494.71 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 10005956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).