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

C23H35N3O3S — CID 86845648

IUPACN-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H35N3O3S/c27-23(26-16-14-25(15-17-26)21-8-3-4-9-21)10-5-13-24-30(28,29)22-12-11-19-6-1-2-7-20(19)18-22/h11-12,18,21,24H,1-10,13-17H2
InChIKeyMGFBYQOOKMWYOX-UHFFFAOYSA-N
MW433.62 g/mol
LogP2.71
Rot. Bonds7

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

N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 86845648) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID86845648
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC NameN-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H35N3O3S/c27-23(26-16-14-25(15-17-26)21-8-3-4-9-21)10-5-13-24-30(28,29)22-12-11-19-6-1-2-7-20(19)18-22/h11-12,18,21,24H,1-10,13-17H2
InChIKeyMGFBYQOOKMWYOX-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86909188
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-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119412609
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26693455
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119638499
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
N-(1-propan-2-ylpiperidin-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86845593
N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 46341317

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 86845648) is N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is MGFBYQOOKMWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c27-23(26-16-14-25(15-17-26)21-8-3-4-9-21)10-5-13-24-30(28,29)22-12-11-19-6-1-2-7-20(19)18-22/h11-12,18,21,24H,1-10,13-17H2.
What are the key properties of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 433.62 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 86845648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).