2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

C16H18ClNO3S — CID 111441401

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H18ClNO3S/c1-10-7-13(17)3-4-15(10)21-11(2)16(20)18-8-14(19)12-5-6-22-9-12/h3-7,9,11,14,19H,8H2,1-2H3,(H,18,20)
InChIKeyDYUWKDCOMYSXQR-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (PubChem CID 111441401) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
PubChem CID111441401
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H18ClNO3S/c1-10-7-13(17)3-4-15(10)21-11(2)16(20)18-8-14(19)12-5-6-22-9-12/h3-7,9,11,14,19H,8H2,1-2H3,(H,18,20)
InChIKeyDYUWKDCOMYSXQR-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441293
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111441578
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (CID 111441401) is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The InChIKey is DYUWKDCOMYSXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10-7-13(17)3-4-15(10)21-11(2)16(20)18-8-14(19)12-5-6-22-9-12/h3-7,9,11,14,19H,8H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide has a molecular weight of 339.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 111441401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).