N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C25H33N3O4S — CID 24538550

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C25H33N3O4S/c1-2-32-24-10-6-5-9-23(24)27-15-17-28(18-16-27)25(29)13-14-26-33(30,31)22-12-11-20-7-3-4-8-21(20)19-22/h5-6,9-12,19,26H,2-4,7-8,13-18H2,1H3
InChIKeyAFNKXAUCDKKQAQ-UHFFFAOYSA-N
MW471.62 g/mol
LogP2.98
Rot. Bonds8

About N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 24538550) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID24538550
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C25H33N3O4S/c1-2-32-24-10-6-5-9-23(24)27-15-17-28(18-16-27)25(29)13-14-26-33(30,31)22-12-11-20-7-3-4-8-21(20)19-22/h5-6,9-12,19,26H,2-4,7-8,13-18H2,1H3
InChIKeyAFNKXAUCDKKQAQ-UHFFFAOYSA-N
XLogP2.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26693455
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9415284
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
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-phenylethyl)benzenesulfonamide
CID 126242055
N-benzyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxamide
CID 31588092
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119412609
4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9115821
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 24538550) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is AFNKXAUCDKKQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-2-32-24-10-6-5-9-23(24)27-15-17-28(18-16-27)25(29)13-14-26-33(30,31)22-12-11-20-7-3-4-8-21(20)19-22/h5-6,9-12,19,26H,2-4,7-8,13-18H2,1H3.
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 471.62 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 24538550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).