N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

C22H20N2O4S2 — CID 134812586

IUPACN-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cc(C#N)ccc3OC)cs2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-3-30(26,27)18-7-4-15(5-8-18)11-21(25)24-22-12-17(14-29-22)19-10-16(13-23)6-9-20(19)28-2/h4-10,12,14H,3,11H2,1-2H3,(H,24,25)
InChIKeyQMPAKLUOYZNDSW-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.27
Rot. Bonds7

About N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 134812586) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID134812586
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC NameN-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cc(C#N)ccc3OC)cs2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-3-30(26,27)18-7-4-15(5-8-18)11-21(25)24-22-12-17(14-29-22)19-10-16(13-23)6-9-20(19)28-2/h4-10,12,14H,3,11H2,1-2H3,(H,24,25)
InChIKeyQMPAKLUOYZNDSW-UHFFFAOYSA-N
XLogP4.27
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)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

2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide
CID 134812587
4-methoxy-3-[4-[(methylsulfonimidoyl)methyl]phenyl]benzonitrile
CID 167883574
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
3-[3-(ethylaminomethyl)phenyl]-4-methoxybenzonitrile
CID 106951070
2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide
CID 134472580
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
4-methoxy-3-[4-[(propan-2-ylamino)methyl]phenyl]benzonitrile
CID 106951045
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145994
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (CID 134812586) is N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cc(C#N)ccc3OC)cs2)cc1.
What is the InChIKey of N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is QMPAKLUOYZNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-3-30(26,27)18-7-4-15(5-8-18)11-21(25)24-22-12-17(14-29-22)19-10-16(13-23)6-9-20(19)28-2/h4-10,12,14H,3,11H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 440.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 134812586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).