2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide

C15H16ClNO2S — CID 2970792

IUPAC2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1cccs1
InChIInChI=1S/C15H16ClNO2S/c1-2-14(19-12-6-3-5-11(16)9-12)15(18)17-10-13-7-4-8-20-13/h3-9,14H,2,10H2,1H3,(H,17,18)
InChIKeyVDSBOWROSISVCE-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.88
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide

2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 2970792) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID2970792
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1cccs1
InChIInChI=1S/C15H16ClNO2S/c1-2-14(19-12-6-3-5-11(16)9-12)15(18)17-10-13-7-4-8-20-13/h3-9,14H,2,10H2,1H3,(H,17,18)
InChIKeyVDSBOWROSISVCE-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 123946292
(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 29057267
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide (CID 2970792) is 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCc1cccs1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is VDSBOWROSISVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-2-14(19-12-6-3-5-11(16)9-12)15(18)17-10-13-7-4-8-20-13/h3-9,14H,2,10H2,1H3,(H,17,18).
What are the key properties of 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide?
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 309.82 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 2970792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).