N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide

C26H27N3O3S — CID 142629304

IUPACN-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide
SMILESNc1cccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H27N3O3S/c27-23-12-6-8-20(18-23)9-7-13-25(26(30)29-16-4-1-5-17-29)28-33(31,32)24-15-14-21-10-2-3-11-22(21)19-24/h2-3,6,8,10-12,14-15,18-19,25,28H,1,4-5,13,16-17,27H2/t25-/m0/s1
InChIKeyWWLFEDMKQQMMCE-VWLOTQADSA-N
MW461.59 g/mol
LogP3.52
Rot. Bonds5

About N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide

N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide (PubChem CID 142629304) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide
PubChem CID142629304
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide
SMILESNc1cccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H27N3O3S/c27-23-12-6-8-20(18-23)9-7-13-25(26(30)29-16-4-1-5-17-29)28-33(31,32)24-15-14-21-10-2-3-11-22(21)19-24/h2-3,6,8,10-12,14-15,18-19,25,28H,1,4-5,13,16-17,27H2/t25-/m0/s1
InChIKeyWWLFEDMKQQMMCE-VWLOTQADSA-N
XLogP3.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
CID 54460606
(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide
CID 15515701
4-[5-(diaminomethylideneamino)-2-(naphthalen-2-ylsulfonylamino)pentanoyl]piperazine-1-carboxylic acid
CID 66994465
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675
(2R)-3-[[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropanoic acid
CID 10257341
3-[(2S)-3-(4-methylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide
CID 10005347
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
2-(2-aminoethyl)-4-[1-[(2S)-3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]-3-methyl-4-oxobutanoic acid
CID 67736500
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
3-[(2R)-3-(4-formylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide
CID 10624997
N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
CID 4406

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide (CID 142629304) is N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide is Nc1cccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide?
The InChIKey is WWLFEDMKQQMMCE-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27N3O3S/c27-23-12-6-8-20(18-23)9-7-13-25(26(30)29-16-4-1-5-17-29)28-33(31,32)24-15-14-21-10-2-3-11-22(21)19-24/h2-3,6,8,10-12,14-15,18-19,25,28H,1,4-5,13,16-17,27H2/t25-/m0/s1.
What are the key properties of N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide?
N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide has a molecular weight of 461.59 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 142629304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).