(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide

C16H24ClNO2SSi — CID 23630364

IUPAC(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide
SMILESCC(=O)C[C@@H](CS)C(=O)NCC[Si](C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2SSi/c1-12(19)10-13(11-21)16(20)18-8-9-22(2,3)15-6-4-14(17)5-7-15/h4-7,13,21H,8-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyAZUFQGWGJLXAJY-ZDUSSCGKSA-N
MW357.98 g/mol
LogP2.90
Rot. Bonds8

About (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide

(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide (PubChem CID 23630364) has the molecular formula C16H24ClNO2SSi and a molecular weight of 357.98 g/mol. Its IUPAC name is (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide
PubChem CID23630364
Molecular FormulaC16H24ClNO2SSi
Molecular Weight357.98 g/mol
Exact Mass357.10
IUPAC Name(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide
SMILESCC(=O)C[C@@H](CS)C(=O)NCC[Si](C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2SSi/c1-12(19)10-13(11-21)16(20)18-8-9-22(2,3)15-6-4-14(17)5-7-15/h4-7,13,21H,8-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyAZUFQGWGJLXAJY-ZDUSSCGKSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)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-(7-trimethylsilylheptyl)pentanamide
CID 23630328
(2S)-N-(2-aminoethyl)-2-[(3-chlorophenyl)methyl]-3-sulfanylpropanamide
CID 87670182
4-bromo-4-(4-chlorophenyl)butan-2-one
CID 69177509
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
CID 94278694
4-(4-chlorophenyl)-4-(methylamino)butan-2-one
CID 116955972
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
4-(3,4-dichlorophenyl)-4-(dimethylamino)butan-2-one
CID 116910574
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
chlorobenzene;2-(sulfanylmethyl)butanoic acid
CID 175366985
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
CID 121059131
(4R)-4-(4-chlorophenyl)hex-5-yn-2-one
CID 134861874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide?
The IUPAC name of (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide (CID 23630364) is (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide.
What is the SMILES notation for (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide?
The canonical SMILES for (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide is CC(=O)C[C@@H](CS)C(=O)NCC[Si](C)(C)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide?
The InChIKey is AZUFQGWGJLXAJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24ClNO2SSi/c1-12(19)10-13(11-21)16(20)18-8-9-22(2,3)15-6-4-14(17)5-7-15/h4-7,13,21H,8-11H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide?
(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide has a molecular weight of 357.98 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 23630364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).