N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide

C24H21N3O4S — CID 2527054

IUPACN-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H21N3O4S/c28-23-20-12-6-8-16-7-5-11-19(21(16)20)22(23)25-26-24(29)17-9-4-10-18(15-17)32(30,31)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,26,29)
InChIKeyZGIIVAGQVNVVSE-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.34
Rot. Bonds4

About N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide

N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2527054) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2527054
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H21N3O4S/c28-23-20-12-6-8-16-7-5-11-19(21(16)20)22(23)25-26-24(29)17-9-4-10-18(15-17)32(30,31)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,26,29)
InChIKeyZGIIVAGQVNVVSE-UHFFFAOYSA-N
XLogP3.34
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 6901929
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
CID 2589458
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589638
N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3552045
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide (CID 2527054) is N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide is O=C(NN=C1C(=O)c2cccc3cccc1c23)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZGIIVAGQVNVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c28-23-20-12-6-8-16-7-5-11-19(21(16)20)22(23)25-26-24(29)17-9-4-10-18(15-17)32(30,31)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,26,29).
What are the key properties of N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide?
N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 447.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2527054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).