3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide

C17H19ClN2O2S — CID 110676801

IUPAC3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2S/c1-12(21)20-16(13-4-2-5-14(18)10-13)11-17(22)19-8-7-15-6-3-9-23-15/h2-6,9-10,16H,7-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyCCPPYNIBQOWYKI-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.33
Rot. Bonds7

About 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide

3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 110676801) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID110676801
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2S/c1-12(21)20-16(13-4-2-5-14(18)10-13)11-17(22)19-8-7-15-6-3-9-23-15/h2-6,9-10,16H,7-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyCCPPYNIBQOWYKI-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380339
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide (CID 110676801) is 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide is CC(=O)NC(CC(=O)NCCc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is CCPPYNIBQOWYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-12(21)20-16(13-4-2-5-14(18)10-13)11-17(22)19-8-7-15-6-3-9-23-15/h2-6,9-10,16H,7-8,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide?
3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 350.87 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 110676801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).