2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide

C17H20ClNO2S — CID 111519809

IUPAC2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
SMILESCC(O)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C17H20ClNO2S/c1-16(2,12-4-6-14(18)7-5-12)15(20)19-11-17(3,21)13-8-9-22-10-13/h4-10,21H,11H2,1-3H3,(H,19,20)
InChIKeyVAXYAURMLYTTPU-UHFFFAOYSA-N
MW337.87 g/mol
LogP3.70
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide

2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide (PubChem CID 111519809) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
PubChem CID111519809
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
SMILESCC(O)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C17H20ClNO2S/c1-16(2,12-4-6-14(18)7-5-12)15(20)19-11-17(3,21)13-8-9-22-10-13/h4-10,21H,11H2,1-3H3,(H,19,20)
InChIKeyVAXYAURMLYTTPU-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
CID 111520232
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
CID 71979797
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide (CID 111519809) is 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide is CC(O)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide?
The InChIKey is VAXYAURMLYTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-16(2,12-4-6-14(18)7-5-12)15(20)19-11-17(3,21)13-8-9-22-10-13/h4-10,21H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide?
2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide has a molecular weight of 337.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide is sourced from PubChem (CID 111519809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).