2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide

C13H11N3O2S — CID 61118422

IUPAC2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C13H11N3O2S/c1-18-9-2-3-11(15)10(6-9)12(17)16-13-8(7-14)4-5-19-13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYFIVTXJKOKKDKM-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide

2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide (PubChem CID 61118422) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
PubChem CID61118422
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C13H11N3O2S/c1-18-9-2-3-11(15)10(6-9)12(17)16-13-8(7-14)4-5-19-13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYFIVTXJKOKKDKM-UHFFFAOYSA-N
XLogP2.46
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788004
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 60954359
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide (CID 61118422) is 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)Nc2sccc2C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide?
The InChIKey is YFIVTXJKOKKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-9-2-3-11(15)10(6-9)12(17)16-13-8(7-14)4-5-19-13/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide?
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide has a molecular weight of 273.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide is sourced from PubChem (CID 61118422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).