(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide

C16H33NO2SSi — CID 23630328

IUPAC(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide
SMILESCC(=O)C[C@@H](CS)C(=O)NCCCCCCC[Si](C)(C)C
InChIInChI=1S/C16H33NO2SSi/c1-14(18)12-15(13-20)16(19)17-10-8-6-5-7-9-11-21(2,3)4/h15,20H,5-13H2,1-4H3,(H,17,19)/t15-/m0/s1
InChIKeyANNPWXDLEITCGE-HNNXBMFYSA-N
MW331.60 g/mol
LogP3.92
Rot. Bonds12

About (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide

(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide (PubChem CID 23630328) has the molecular formula C16H33NO2SSi and a molecular weight of 331.60 g/mol. Its IUPAC name is (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide.

Molecular Properties

Compound Name(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide
PubChem CID23630328
Molecular FormulaC16H33NO2SSi
Molecular Weight331.60 g/mol
Exact Mass331.20
IUPAC Name(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide
SMILESCC(=O)C[C@@H](CS)C(=O)NCCCCCCC[Si](C)(C)C
InChIInChI=1S/C16H33NO2SSi/c1-14(18)12-15(13-20)16(19)17-10-8-6-5-7-9-11-21(2,3)4/h15,20H,5-13H2,1-4H3,(H,17,19)/t15-/m0/s1
InChIKeyANNPWXDLEITCGE-HNNXBMFYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide
CID 23630322
(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide
CID 23630364
2-ethyl-N-(6-oxoheptyl)butanamide
CID 130267698
(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide
CID 158588824
1-(3-trimethylsilylpropylamino)propan-2-one
CID 175115112
6-trimethylsilyl-N-(3-trimethylsilylpropyl)hexan-1-amine
CID 158108196
(2R,5S)-5-amino-N-[(15S)-15-[[(2S)-2-amino-4-oxopentanoyl]amino]-14,17-dioxooctadecyl]-4,7-dioxo-2-(2-oxopropyl)octanamide
CID 157433511
[1-(dodecylamino)-1-oxo-3-sulfanylpropan-2-yl]azanium
CID 177260076
N-octadecyl-2-octylicosanamide
CID 154636535
2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
CID 110441795
3-methyl-4-oxo-4-(6-oxoheptylamino)butanoic acid
CID 129183093
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588

Frequently Asked Questions

What is the IUPAC name of (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide?
The IUPAC name of (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide (CID 23630328) is (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide.
What is the SMILES notation for (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide?
The canonical SMILES for (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide is CC(=O)C[C@@H](CS)C(=O)NCCCCCCC[Si](C)(C)C.
What is the InChIKey of (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide?
The InChIKey is ANNPWXDLEITCGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H33NO2SSi/c1-14(18)12-15(13-20)16(19)17-10-8-6-5-7-9-11-21(2,3)4/h15,20H,5-13H2,1-4H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide?
(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide has a molecular weight of 331.60 g/mol, XLogP of 3.92, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide is sourced from PubChem (CID 23630328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).