N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide

C16H28N2O3S — CID 71040485

IUPACN-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCCC1=CCC(NC(=O)CCCCNS(=O)(=O)C(C)C)C=C1
InChIInChI=1S/C16H28N2O3S/c1-4-14-8-10-15(11-9-14)18-16(19)7-5-6-12-17-22(20,21)13(2)3/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H,18,19)
InChIKeyPCBROICCCFNLPZ-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.27
Rot. Bonds9

About N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 71040485) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID71040485
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCCC1=CCC(NC(=O)CCCCNS(=O)(=O)C(C)C)C=C1
InChIInChI=1S/C16H28N2O3S/c1-4-14-8-10-15(11-9-14)18-16(19)7-5-6-12-17-22(20,21)13(2)3/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H,18,19)
InChIKeyPCBROICCCFNLPZ-UHFFFAOYSA-N
XLogP2.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 71040485) is N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide is CCC1=CCC(NC(=O)CCCCNS(=O)(=O)C(C)C)C=C1.
What is the InChIKey of N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is PCBROICCCFNLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-4-14-8-10-15(11-9-14)18-16(19)7-5-6-12-17-22(20,21)13(2)3/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 328.48 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 71040485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).