2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide

C16H19ClN2OS — CID 61251162

IUPAC2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
SMILESCN(C)C(CNC(=O)C(Cl)c1ccccc1)c1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-19(2)13(14-9-6-10-21-14)11-18-16(20)15(17)12-7-4-3-5-8-12/h3-10,13,15H,11H2,1-2H3,(H,18,20)
InChIKeyWAZIOINDUJULKN-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.45
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide

2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide (PubChem CID 61251162) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
PubChem CID61251162
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
SMILESCN(C)C(CNC(=O)C(Cl)c1ccccc1)c1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-19(2)13(14-9-6-10-21-14)11-18-16(20)15(17)12-7-4-3-5-8-12/h3-10,13,15H,11H2,1-2H3,(H,18,20)
InChIKeyWAZIOINDUJULKN-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
CID 107471836
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide
CID 7874184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide (CID 61251162) is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide is CN(C)C(CNC(=O)C(Cl)c1ccccc1)c1cccs1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide?
The InChIKey is WAZIOINDUJULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-19(2)13(14-9-6-10-21-14)11-18-16(20)15(17)12-7-4-3-5-8-12/h3-10,13,15H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide?
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide has a molecular weight of 322.86 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide is sourced from PubChem (CID 61251162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).