N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide

C16H19FN2OS — CID 30834307

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H19FN2OS/c1-19(2)14(15-4-3-9-21-15)11-18-16(20)10-12-5-7-13(17)8-6-12/h3-9,14H,10-11H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOMPBCJFJLSVXGV-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 30834307) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
PubChem CID30834307
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H19FN2OS/c1-19(2)14(15-4-3-9-21-15)11-18-16(20)10-12-5-7-13(17)8-6-12/h3-9,14H,10-11H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOMPBCJFJLSVXGV-AWEZNQCLSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 46588973
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide (CID 30834307) is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide is CN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OMPBCJFJLSVXGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-19(2)14(15-4-3-9-21-15)11-18-16(20)10-12-5-7-13(17)8-6-12/h3-9,14H,10-11H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30834307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).