N-ethoxy-4-phenylsulfanylbutanamide

C12H17NO2S — CID 60717776

IUPACN-ethoxy-4-phenylsulfanylbutanamide
SMILESCCONC(=O)CCCSc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-2-15-13-12(14)9-6-10-16-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14)
InChIKeyFUIFULLVTQUDSY-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.63
Rot. Bonds7

About N-ethoxy-4-phenylsulfanylbutanamide

N-ethoxy-4-phenylsulfanylbutanamide (PubChem CID 60717776) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-ethoxy-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-ethoxy-4-phenylsulfanylbutanamide
PubChem CID60717776
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-ethoxy-4-phenylsulfanylbutanamide
SMILESCCONC(=O)CCCSc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-2-15-13-12(14)9-6-10-16-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14)
InChIKeyFUIFULLVTQUDSY-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-phenylsulfanylbutanoylamino)acetate
CID 14708923
methyl 2-(4-phenylsulfanylbutanoylamino)propanoate
CID 60638193
N-(2-ethylbutyl)-4-phenylsulfanylbutanamide
CID 115612600
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylsulfanylbutanamide
CID 103602258
N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
CID 4787769
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
methyl 4,5-dimethyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylate
CID 41085962
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-phenylsulfanylbutanamide?
The IUPAC name of N-ethoxy-4-phenylsulfanylbutanamide (CID 60717776) is N-ethoxy-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-ethoxy-4-phenylsulfanylbutanamide?
The canonical SMILES for N-ethoxy-4-phenylsulfanylbutanamide is CCONC(=O)CCCSc1ccccc1.
What is the InChIKey of N-ethoxy-4-phenylsulfanylbutanamide?
The InChIKey is FUIFULLVTQUDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-15-13-12(14)9-6-10-16-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14).
What are the key properties of N-ethoxy-4-phenylsulfanylbutanamide?
N-ethoxy-4-phenylsulfanylbutanamide has a molecular weight of 239.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-phenylsulfanylbutanamide is sourced from PubChem (CID 60717776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).