N-(2-ethylbutyl)-4-phenylsulfanylbutanamide

C16H25NOS — CID 115612600

IUPACN-(2-ethylbutyl)-4-phenylsulfanylbutanamide
SMILESCCC(CC)CNC(=O)CCCSc1ccccc1
InChIInChI=1S/C16H25NOS/c1-3-14(4-2)13-17-16(18)11-8-12-19-15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,17,18)
InChIKeyJEZUDUYQIVPSNX-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.11
Rot. Bonds9

About N-(2-ethylbutyl)-4-phenylsulfanylbutanamide

N-(2-ethylbutyl)-4-phenylsulfanylbutanamide (PubChem CID 115612600) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-phenylsulfanylbutanamide
PubChem CID115612600
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(2-ethylbutyl)-4-phenylsulfanylbutanamide
SMILESCCC(CC)CNC(=O)CCCSc1ccccc1
InChIInChI=1S/C16H25NOS/c1-3-14(4-2)13-17-16(18)11-8-12-19-15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,17,18)
InChIKeyJEZUDUYQIVPSNX-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336
ethyl 2-(4-phenylsulfanylbutanoylamino)acetate
CID 14708923
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
N-ethoxy-4-phenylsulfanylbutanamide
CID 60717776
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
methyl 2-(4-phenylsulfanylbutanoylamino)propanoate
CID 60638193
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylsulfanylbutanamide
CID 103602258
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(2-ethylbutyl)-4-phenylsulfanylbutanamide (CID 115612600) is N-(2-ethylbutyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(2-ethylbutyl)-4-phenylsulfanylbutanamide is CCC(CC)CNC(=O)CCCSc1ccccc1.
What is the InChIKey of N-(2-ethylbutyl)-4-phenylsulfanylbutanamide?
The InChIKey is JEZUDUYQIVPSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-14(4-2)13-17-16(18)11-8-12-19-15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethylbutyl)-4-phenylsulfanylbutanamide?
N-(2-ethylbutyl)-4-phenylsulfanylbutanamide has a molecular weight of 279.45 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 115612600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).