3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide

C16H19ClN2O2S — CID 50953100

IUPAC3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNCC(O)c1ccccc1Cl)NCc1cccs1
InChIInChI=1S/C16H19ClN2O2S/c17-14-6-2-1-5-13(14)15(20)11-18-8-7-16(21)19-10-12-4-3-9-22-12/h1-6,9,15,18,20H,7-8,10-11H2,(H,19,21)
InChIKeyIGKUOCFOIHMFTM-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.73
Rot. Bonds8

About 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide

3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 50953100) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID50953100
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNCC(O)c1ccccc1Cl)NCc1cccs1
InChIInChI=1S/C16H19ClN2O2S/c17-14-6-2-1-5-13(14)15(20)11-18-8-7-16(21)19-10-12-4-3-9-22-12/h1-6,9,15,18,20H,7-8,10-11H2,(H,19,21)
InChIKeyIGKUOCFOIHMFTM-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 46446913
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526598
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide (CID 50953100) is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCNCC(O)c1ccccc1Cl)NCc1cccs1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is IGKUOCFOIHMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c17-14-6-2-1-5-13(14)15(20)11-18-8-7-16(21)19-10-12-4-3-9-22-12/h1-6,9,15,18,20H,7-8,10-11H2,(H,19,21).
What are the key properties of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 338.86 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 50953100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).