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

C16H19ClN2OS — CID 30834281

IUPAC2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C16H19ClN2OS/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
InChIKeyZXKHCKUCIZKYQT-AWEZNQCLSA-N
MW322.86 g/mol
LogP3.36
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (PubChem CID 30834281) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
PubChem CID30834281
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C16H19ClN2OS/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
InChIKeyZXKHCKUCIZKYQT-AWEZNQCLSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 18161798
2-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18169478
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
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-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161893
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (CID 30834281) is 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is ZXKHCKUCIZKYQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN2OS/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 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 322.86 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 30834281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).