N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide

C21H38N2O3S — CID 89215073

IUPACN-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C(CC/C(=C\C)C1CCCCC1)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C21H38N2O3S/c1-5-19(20-11-7-6-8-12-20)15-14-18(4)23-21(24)13-9-10-16-22-27(25,26)17(2)3/h5,17,20,22H,4,6-16H2,1-3H3,(H,23,24)/b19-5+
InChIKeyUHVQBSMQQCPIID-PTXOJBNSSA-N
MW398.61 g/mol
LogP4.42
Rot. Bonds12

About N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89215073) has the molecular formula C21H38N2O3S and a molecular weight of 398.61 g/mol. Its IUPAC name is N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89215073
Molecular FormulaC21H38N2O3S
Molecular Weight398.61 g/mol
Exact Mass398.26
IUPAC NameN-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C(CC/C(=C\C)C1CCCCC1)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C21H38N2O3S/c1-5-19(20-11-7-6-8-12-20)15-14-18(4)23-21(24)13-9-10-16-22-27(25,26)17(2)3/h5,17,20,22H,4,6-16H2,1-3H3,(H,23,24)/b19-5+
InChIKeyUHVQBSMQQCPIID-PTXOJBNSSA-N
XLogP4.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 54.42
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-(4-methylcyclohexa-1,3-dien-1-yl)-4-(propan-2-ylsulfinylamino)cyclohex-3-ene-1-carboxamide
CID 70892490
5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
CID 70974482
N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 70974499
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-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040476
5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
CID 89214752
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

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89215073) is N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is C=C(CC/C(=C\C)C1CCCCC1)NC(=O)CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is UHVQBSMQQCPIID-PTXOJBNSSA-N. The full InChI is InChI=1S/C21H38N2O3S/c1-5-19(20-11-7-6-8-12-20)15-14-18(4)23-21(24)13-9-10-16-22-27(25,26)17(2)3/h5,17,20,22H,4,6-16H2,1-3H3,(H,23,24)/b19-5+.
What are the key properties of N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 398.61 g/mol, XLogP of 4.42, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89215073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).