N-(2-ethylbutyl)-2-phenylsulfanylacetamide

C14H21NOS — CID 115612630

IUPACN-(2-ethylbutyl)-2-phenylsulfanylacetamide
SMILESCCC(CC)CNC(=O)CSc1ccccc1
InChIInChI=1S/C14H21NOS/c1-3-12(4-2)10-15-14(16)11-17-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyBYUCRFMKPAANOG-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.33
Rot. Bonds7

About N-(2-ethylbutyl)-2-phenylsulfanylacetamide

N-(2-ethylbutyl)-2-phenylsulfanylacetamide (PubChem CID 115612630) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-phenylsulfanylacetamide
PubChem CID115612630
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-(2-ethylbutyl)-2-phenylsulfanylacetamide
SMILESCCC(CC)CNC(=O)CSc1ccccc1
InChIInChI=1S/C14H21NOS/c1-3-12(4-2)10-15-14(16)11-17-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyBYUCRFMKPAANOG-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(2-ethylbutyl)-4-phenylsulfanylbutanamide
CID 115612600
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
CID 115612499

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-ethylbutyl)-2-phenylsulfanylacetamide (CID 115612630) is N-(2-ethylbutyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-ethylbutyl)-2-phenylsulfanylacetamide is CCC(CC)CNC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-ethylbutyl)-2-phenylsulfanylacetamide?
The InChIKey is BYUCRFMKPAANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-12(4-2)10-15-14(16)11-17-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylbutyl)-2-phenylsulfanylacetamide?
N-(2-ethylbutyl)-2-phenylsulfanylacetamide has a molecular weight of 251.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 115612630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).