2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

C16H17ClN2O2S — CID 175945806

IUPAC2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(CCl)NC(C(=O)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C16H17ClN2O2S/c17-11-14(20)19-15(13-7-4-10-22-13)16(21)18-9-8-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyJNJLBOKPWGMNMH-UHFFFAOYSA-N
MW336.84 g/mol
LogP2.50
Rot. Bonds7

About 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 175945806) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID175945806
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(CCl)NC(C(=O)NCCc1ccccc1)c1cccs1
InChIInChI=1S/C16H17ClN2O2S/c17-11-14(20)19-15(13-7-4-10-22-13)16(21)18-9-8-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyJNJLBOKPWGMNMH-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 91575081
CID 91575081
2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285271
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708926
N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
CID 174251114
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 8867151
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862218
3-[2-[(2-amino-2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid
CID 115287296
N-[(2S)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862203

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CID 175945806) is 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is O=C(CCl)NC(C(=O)NCCc1ccccc1)c1cccs1.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is JNJLBOKPWGMNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-11-14(20)19-15(13-7-4-10-22-13)16(21)18-9-8-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2,(H,18,21)(H,19,20).
What are the key properties of 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 336.84 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 175945806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).