2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide

C18H21N3O2S — CID 51146078

IUPAC2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C18H21N3O2S/c1-13(23-15-8-6-14(11-19)7-9-15)18(22)20-12-16(21(2)3)17-5-4-10-24-17/h4-10,13,16H,12H2,1-3H3,(H,20,22)
InChIKeyIUEQMAADEBJIDR-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.81
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide

2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide (PubChem CID 51146078) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
PubChem CID51146078
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C18H21N3O2S/c1-13(23-15-8-6-14(11-19)7-9-15)18(22)20-12-16(21(2)3)17-5-4-10-24-17/h4-10,13,16H,12H2,1-3H3,(H,20,22)
InChIKeyIUEQMAADEBJIDR-UHFFFAOYSA-N
XLogP2.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161802
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide (CID 51146078) is 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is IUEQMAADEBJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(23-15-8-6-14(11-19)7-9-15)18(22)20-12-16(21(2)3)17-5-4-10-24-17/h4-10,13,16H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 51146078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).