5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide

C19H32N2O5S — CID 20629413

IUPAC5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C19H32N2O5S/c1-19(2,3)27(23,24)21-12-7-6-8-18(22)20-13-11-15-9-10-16(25-4)17(14-15)26-5/h9-10,14,21H,6-8,11-13H2,1-5H3,(H,20,22)
InChIKeyUAIUDWOSOHYSPA-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.25
Rot. Bonds11

About 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide

5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide (PubChem CID 20629413) has the molecular formula C19H32N2O5S and a molecular weight of 400.54 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
PubChem CID20629413
Molecular FormulaC19H32N2O5S
Molecular Weight400.54 g/mol
Exact Mass400.20
IUPAC Name5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C19H32N2O5S/c1-19(2,3)27(23,24)21-12-7-6-8-18(22)20-13-11-15-9-10-16(25-4)17(14-15)26-5/h9-10,14,21H,6-8,11-13H2,1-5H3,(H,20,22)
InChIKeyUAIUDWOSOHYSPA-UHFFFAOYSA-N
XLogP2.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide
CID 169319919
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 19062110

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide (CID 20629413) is 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide is COc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1OC.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
The InChIKey is UAIUDWOSOHYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5S/c1-19(2,3)27(23,24)21-12-7-6-8-18(22)20-13-11-15-9-10-16(25-4)17(14-15)26-5/h9-10,14,21H,6-8,11-13H2,1-5H3,(H,20,22).
What are the key properties of 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide has a molecular weight of 400.54 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 20629413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).