N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

C15H14N2O3S — CID 16911918

IUPACN-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2sccc2C#N)cc1OC
InChIInChI=1S/C15H14N2O3S/c1-19-12-4-3-10(7-13(12)20-2)8-14(18)17-15-11(9-16)5-6-21-15/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyCEEMKMGPDBREDH-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.82
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 16911918) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID16911918
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2sccc2C#N)cc1OC
InChIInChI=1S/C15H14N2O3S/c1-19-12-4-3-10(7-13(12)20-2)8-14(18)17-15-11(9-16)5-6-21-15/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyCEEMKMGPDBREDH-UHFFFAOYSA-N
XLogP2.82
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968819
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3318433
N-(3-cyanothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 27271462
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875978
N-(3-cyanothiophen-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19730951
N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8761244
N-(3-cyanothiophen-2-yl)-4-methoxy-3-nitrobenzamide
CID 8915009

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 16911918) is N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2sccc2C#N)cc1OC.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is CEEMKMGPDBREDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-12-4-3-10(7-13(12)20-2)8-14(18)17-15-11(9-16)5-6-21-15/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16911918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).