N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide

C20H26N4O4S — CID 22721769

IUPACN-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCNC(=O)C1CCNCC1
InChIInChI=1S/C20H26N4O4S/c25-19(22-11-12-23-20(26)16-7-9-21-10-8-16)14-24-29(27,28)18-6-5-15-3-1-2-4-17(15)13-18/h1-6,13,16,21,24H,7-12,14H2,(H,22,25)(H,23,26)
InChIKeyGKCXZRRASPATBZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP0.35
Rot. Bonds8

About N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide

N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide (PubChem CID 22721769) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide
PubChem CID22721769
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCNC(=O)C1CCNCC1
InChIInChI=1S/C20H26N4O4S/c25-19(22-11-12-23-20(26)16-7-9-21-10-8-16)14-24-29(27,28)18-6-5-15-3-1-2-4-17(15)13-18/h1-6,13,16,21,24H,7-12,14H2,(H,22,25)(H,23,26)
InChIKeyGKCXZRRASPATBZ-UHFFFAOYSA-N
XLogP0.35
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 70080466
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119755146
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
ethyl 2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propanoate
CID 22721782

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide (CID 22721769) is N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCNC(=O)C1CCNCC1.
What is the InChIKey of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide?
The InChIKey is GKCXZRRASPATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c25-19(22-11-12-23-20(26)16-7-9-21-10-8-16)14-24-29(27,28)18-6-5-15-3-1-2-4-17(15)13-18/h1-6,13,16,21,24H,7-12,14H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide?
N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 22721769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).