(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide

C15H16ClNO2S — CID 898910

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1cccs1
InChIInChI=1S/C15H16ClNO2S/c1-10-8-12(16)5-6-14(10)19-11(2)15(18)17-9-13-4-3-7-20-13/h3-8,11H,9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyAYKLJFLGDVKSFN-NSHDSACASA-N
MW309.82 g/mol
LogP3.79
Rot. Bonds5

About (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 898910) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID898910
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1cccs1
InChIInChI=1S/C15H16ClNO2S/c1-10-8-12(16)5-6-14(10)19-11(2)15(18)17-9-13-4-3-7-20-13/h3-8,11H,9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyAYKLJFLGDVKSFN-NSHDSACASA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 18092049
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 5122020
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441401
dimethyl 5-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]oxybenzene-1,3-dicarboxylate
CID 27362446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide (CID 898910) is (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is AYKLJFLGDVKSFN-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-8-12(16)5-6-14(10)19-11(2)15(18)17-9-13-4-3-7-20-13/h3-8,11H,9H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 309.82 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 898910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).