2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide

C19H21N3O4S2 — CID 47047952

IUPAC2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C19H21N3O4S2/c20-12-15-5-4-6-16(11-15)26-14-18(23)21-13-17-7-8-19(27-17)28(24,25)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,13-14H2,(H,21,23)
InChIKeyFQKFEHUMWQFZKX-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.49
Rot. Bonds7

About 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide

2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide (PubChem CID 47047952) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
PubChem CID47047952
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C19H21N3O4S2/c20-12-15-5-4-6-16(11-15)26-14-18(23)21-13-17-7-8-19(27-17)28(24,25)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,13-14H2,(H,21,23)
InChIKeyFQKFEHUMWQFZKX-UHFFFAOYSA-N
XLogP2.49
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide 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

N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide
CID 53112400
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
(2R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(3-chlorophenoxy)propanamide
CID 95086831
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 41247942
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
CID 16602108
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
3-[2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)amino]acetyl]benzonitrile
CID 175381618
N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31916016
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 26061260

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide (CID 47047952) is 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide is N#Cc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
The InChIKey is FQKFEHUMWQFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c20-12-15-5-4-6-16(11-15)26-14-18(23)21-13-17-7-8-19(27-17)28(24,25)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,13-14H2,(H,21,23).
What are the key properties of 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 47047952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).