N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide

C21H29N3O3S — CID 3552045

IUPACN-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCCC1=CCCC1=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H29N3O3S/c1-2-3-4-9-17-10-8-13-20(17)22-23-21(25)18-11-7-12-19(16-18)28(26,27)24-14-5-6-15-24/h7,10-12,16H,2-6,8-9,13-15H2,1H3,(H,23,25)
InChIKeyKSEOHOQIPKSGGN-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.86
Rot. Bonds8

About N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3552045) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3552045
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCCC1=CCCC1=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H29N3O3S/c1-2-3-4-9-17-10-8-13-20(17)22-23-21(25)18-11-7-12-19(16-18)28(26,27)24-14-5-6-15-24/h7,10-12,16H,2-6,8-9,13-15H2,1H3,(H,23,25)
InChIKeyKSEOHOQIPKSGGN-UHFFFAOYSA-N
XLogP3.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
[2-oxo-2-(pentylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081458
N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
CID 2527054
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 3552045) is N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide is CCCCCC1=CCCC1=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KSEOHOQIPKSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-2-3-4-9-17-10-8-13-20(17)22-23-21(25)18-11-7-12-19(16-18)28(26,27)24-14-5-6-15-24/h7,10-12,16H,2-6,8-9,13-15H2,1H3,(H,23,25).
What are the key properties of N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 403.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentylcyclopent-2-en-1-ylidene)amino]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3552045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).