N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide

C15H13ClN2O2S — CID 46596451

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2O2S/c1-10(20-12-4-2-11(8-17)3-5-12)15(19)18-9-13-6-7-14(16)21-13/h2-7,10H,9H2,1H3,(H,18,19)
InChIKeyGWTFKYGHVDKABN-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.36
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide (PubChem CID 46596451) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
PubChem CID46596451
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2O2S/c1-10(20-12-4-2-11(8-17)3-5-12)15(19)18-9-13-6-7-14(16)21-13/h2-7,10H,9H2,1H3,(H,18,19)
InChIKeyGWTFKYGHVDKABN-UHFFFAOYSA-N
XLogP3.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanamide
CID 141378365
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 86994457
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide (CID 46596451) is N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is GWTFKYGHVDKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-10(20-12-4-2-11(8-17)3-5-12)15(19)18-9-13-6-7-14(16)21-13/h2-7,10H,9H2,1H3,(H,18,19).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 46596451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).