N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide

C16H19NO3S — CID 121085799

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-12(20-13-7-4-3-5-8-13)15(18)17-11-16(2,19)14-9-6-10-21-14/h3-10,12,19H,11H2,1-2H3,(H,17,18)
InChIKeyMOFKHGZIKKNIKG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.54
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide (PubChem CID 121085799) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
PubChem CID121085799
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-12(20-13-7-4-3-5-8-13)15(18)17-11-16(2,19)14-9-6-10-21-14/h3-10,12,19H,11H2,1-2H3,(H,17,18)
InChIKeyMOFKHGZIKKNIKG-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
CID 111519603
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111442981
N-ethyl-2-phenoxypropanamide
CID 4282518
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
N-(2-methoxy-2-phenylbutyl)-2-phenoxypropanamide
CID 90599490

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide (CID 121085799) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide?
The InChIKey is MOFKHGZIKKNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(20-13-7-4-3-5-8-13)15(18)17-11-16(2,19)14-9-6-10-21-14/h3-10,12,19H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide has a molecular weight of 305.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide is sourced from PubChem (CID 121085799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).