N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide

C20H36N2O3S — CID 89214867

IUPACN-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C1C(C/C(=C\C)NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)C1C
InChIInChI=1S/C20H36N2O3S/c1-7-19(13-18-12-15(4)16(5)17(18)6)22-20(23)10-8-9-11-21-26(24,25)14(2)3/h7,14-16,18,21H,6,8-13H2,1-5H3,(H,22,23)/b19-7+
InChIKeyOZROBFRRKFALNL-FBCYGCLPSA-N
MW384.59 g/mol
LogP3.74
Rot. Bonds10

About N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89214867) has the molecular formula C20H36N2O3S and a molecular weight of 384.59 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89214867
Molecular FormulaC20H36N2O3S
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC NameN-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C1C(C/C(=C\C)NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)C1C
InChIInChI=1S/C20H36N2O3S/c1-7-19(13-18-12-15(4)16(5)17(18)6)22-20(23)10-8-9-11-21-26(24,25)14(2)3/h7,14-16,18,21H,6,8-13H2,1-5H3,(H,22,23)/b19-7+
InChIKeyOZROBFRRKFALNL-FBCYGCLPSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide 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-[(3aR)-1,2-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(tert-butylsulfinylamino)pentanamide
CID 70892607
5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040281
N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040377
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
CID 89214752
5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide
CID 89214873
N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215073

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89214867) is N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is C=C1C(C/C(=C\C)NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)C1C.
What is the InChIKey of N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is OZROBFRRKFALNL-FBCYGCLPSA-N. The full InChI is InChI=1S/C20H36N2O3S/c1-7-19(13-18-12-15(4)16(5)17(18)6)22-20(23)10-8-9-11-21-26(24,25)14(2)3/h7,14-16,18,21H,6,8-13H2,1-5H3,(H,22,23)/b19-7+.
What are the key properties of N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 384.59 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89214867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).