N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide

C14H20N2O2S — CID 46421409

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-9-14(18)16-11-7-5-6-8-12(11)19-10-13(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)(H,16,18)
InChIKeyIALWWPFFTYGRCM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.78
Rot. Bonds8

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide (PubChem CID 46421409) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
PubChem CID46421409
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-9-14(18)16-11-7-5-6-8-12(11)19-10-13(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)(H,16,18)
InChIKeyIALWWPFFTYGRCM-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 55388712
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
CID 78810399
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 78810380
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-(2-aminophenyl)octadecanamide
CID 68839220
4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773448
(E)-4-[2-(2-amino-2-oxoethyl)sulfanylanilino]-4-oxobut-2-enoic acid
CID 54868379

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide (CID 46421409) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide is CCCCCC(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide?
The InChIKey is IALWWPFFTYGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-3-4-9-14(18)16-11-7-5-6-8-12(11)19-10-13(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide has a molecular weight of 280.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide is sourced from PubChem (CID 46421409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).