(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide

C14H21FN2OS — CID 97203656

IUPAC(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)[C@H](c1ccccc1F)N(C)C
InChIInChI=1S/C14H21FN2OS/c1-17(2)13(11-7-4-5-8-12(11)15)14(18)16-9-6-10-19-3/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyCRERRFPDRPCVIL-ZDUSSCGKSA-N
MW284.40 g/mol
LogP2.30
Rot. Bonds7

About (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide (PubChem CID 97203656) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
PubChem CID97203656
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)[C@H](c1ccccc1F)N(C)C
InChIInChI=1S/C14H21FN2OS/c1-17(2)13(11-7-4-5-8-12(11)15)14(18)16-9-6-10-19-3/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyCRERRFPDRPCVIL-ZDUSSCGKSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 72846104
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 97130982
(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 95121897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide (CID 97203656) is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide is CSCCCNC(=O)[C@H](c1ccccc1F)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide?
The InChIKey is CRERRFPDRPCVIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-17(2)13(11-7-4-5-8-12(11)15)14(18)16-9-6-10-19-3/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide?
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 97203656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).