5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide

C20H36N2O3S — CID 89214752

IUPAC5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
SMILESC=C(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)[C@@H](C)C1CCC/C1=C/C
InChIInChI=1S/C20H36N2O3S/c1-7-17-11-10-12-18(17)15(2)16(3)22-19(23)13-8-9-14-21-26(24,25)20(4,5)6/h7,15,18,21H,3,8-14H2,1-2,4-6H3,(H,22,23)/b17-7-/t15-,18?/m1/s1
InChIKeyZVZOLAIKVSXMEZ-NIUQCDLMSA-N
MW384.59 g/mol
LogP3.89
Rot. Bonds9

About 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide

5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide (PubChem CID 89214752) has the molecular formula C20H36N2O3S and a molecular weight of 384.59 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
PubChem CID89214752
Molecular FormulaC20H36N2O3S
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC Name5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
SMILESC=C(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)[C@@H](C)C1CCC/C1=C/C
InChIInChI=1S/C20H36N2O3S/c1-7-17-11-10-12-18(17)15(2)16(3)22-19(23)13-8-9-14-21-26(24,25)20(4,5)6/h7,15,18,21H,3,8-14H2,1-2,4-6H3,(H,22,23)/b17-7-/t15-,18?/m1/s1
InChIKeyZVZOLAIKVSXMEZ-NIUQCDLMSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.89
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'}

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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
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide
CID 71040419
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214867
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 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide (CID 89214752) is 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide is C=C(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)[C@@H](C)C1CCC/C1=C/C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide?
The InChIKey is ZVZOLAIKVSXMEZ-NIUQCDLMSA-N. The full InChI is InChI=1S/C20H36N2O3S/c1-7-17-11-10-12-18(17)15(2)16(3)22-19(23)13-8-9-14-21-26(24,25)20(4,5)6/h7,15,18,21H,3,8-14H2,1-2,4-6H3,(H,22,23)/b17-7-/t15-,18?/m1/s1.
What are the key properties of 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide?
5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide has a molecular weight of 384.59 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide is sourced from PubChem (CID 89214752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).