N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H32N2O3S — CID 86909188

IUPACN-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC1CCCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H32N2O3S/c1-2-19-10-5-6-15-23(19)21(24)11-7-14-22-27(25,26)20-13-12-17-8-3-4-9-18(17)16-20/h12-13,16,19,22H,2-11,14-15H2,1H3
InChIKeyWEPDHQKODSSMIE-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.41
Rot. Bonds7

About N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 86909188) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID86909188
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC1CCCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H32N2O3S/c1-2-19-10-5-6-15-23(19)21(24)11-7-14-22-27(25,26)20-13-12-17-8-3-4-9-18(17)16-20/h12-13,16,19,22H,2-11,14-15H2,1H3
InChIKeyWEPDHQKODSSMIE-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119651405
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86845648
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 8599736
N-(1-propan-2-ylpiperidin-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86845593
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119563156
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119520090
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995607
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 86909188) is N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCC1CCCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is WEPDHQKODSSMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-2-19-10-5-6-15-23(19)21(24)11-7-14-22-27(25,26)20-13-12-17-8-3-4-9-18(17)16-20/h12-13,16,19,22H,2-11,14-15H2,1H3.
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 86909188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).