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

C13H10N2O2S — CID 2377141

IUPACN-(3-cyanothiophen-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C13H10N2O2S/c1-17-11-4-2-3-9(7-11)12(16)15-13-10(8-14)5-6-18-13/h2-7H,1H3,(H,15,16)
InChIKeyQFACBIKVWQVWBW-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.88
Rot. Bonds3

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

N-(3-cyanothiophen-2-yl)-3-methoxybenzamide (PubChem CID 2377141) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-methoxybenzamide
PubChem CID2377141
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(3-cyanothiophen-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C13H10N2O2S/c1-17-11-4-2-3-9(7-11)12(16)15-13-10(8-14)5-6-18-13/h2-7H,1H3,(H,15,16)
InChIKeyQFACBIKVWQVWBW-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanothiophen-2-yl)-3-methoxybenzamide 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-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
CID 61118422
N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 18587111
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-4-methoxy-3-nitrobenzamide
CID 8915009
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methoxybenzamide
CID 962467

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-methoxybenzamide (CID 2377141) is N-(3-cyanothiophen-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2sccc2C#N)c1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-methoxybenzamide?
The InChIKey is QFACBIKVWQVWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-11-4-2-3-9(7-11)12(16)15-13-10(8-14)5-6-18-13/h2-7H,1H3,(H,15,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-methoxybenzamide?
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 2377141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).