5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide

C18H32N2O2S — CID 71040421

IUPAC5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
SMILESCCCC1=CCC(NC(=O)CCCCNS(=O)C(C)(C)C)C=C1
InChIInChI=1S/C18H32N2O2S/c1-5-8-15-10-12-16(13-11-15)20-17(21)9-6-7-14-19-23(22)18(2,3)4/h10-12,16,19H,5-9,13-14H2,1-4H3,(H,20,21)
InChIKeyYVBJXUBLWWWOJR-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.38
Rot. Bonds9

About 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide

5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide (PubChem CID 71040421) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
PubChem CID71040421
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Name5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide
SMILESCCCC1=CCC(NC(=O)CCCCNS(=O)C(C)(C)C)C=C1
InChIInChI=1S/C18H32N2O2S/c1-5-8-15-10-12-16(13-11-15)20-17(21)9-6-7-14-19-23(22)18(2,3)4/h10-12,16,19H,5-9,13-14H2,1-4H3,(H,20,21)
InChIKeyYVBJXUBLWWWOJR-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide (CID 71040421) is 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide is CCCC1=CCC(NC(=O)CCCCNS(=O)C(C)(C)C)C=C1.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
The InChIKey is YVBJXUBLWWWOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-5-8-15-10-12-16(13-11-15)20-17(21)9-6-7-14-19-23(22)18(2,3)4/h10-12,16,19H,5-9,13-14H2,1-4H3,(H,20,21).
What are the key properties of 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide?
5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide has a molecular weight of 340.53 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfinylamino)-N-(4-propylcyclohexa-2,4-dien-1-yl)pentanamide is sourced from PubChem (CID 71040421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).