3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide

C16H17N3OS — CID 79611702

IUPAC3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2cc(C#N)cs2)c1
InChIInChI=1S/C16H17N3OS/c1-3-18-16(20)13-5-4-11(2)15(7-13)19-9-14-6-12(8-17)10-21-14/h4-7,10,19H,3,9H2,1-2H3,(H,18,20)
InChIKeyZVDYSWNQHMAJEW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.29
Rot. Bonds5

About 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide

3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide (PubChem CID 79611702) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide
PubChem CID79611702
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2cc(C#N)cs2)c1
InChIInChI=1S/C16H17N3OS/c1-3-18-16(20)13-5-4-11(2)15(7-13)19-9-14-6-12(8-17)10-21-14/h4-7,10,19H,3,9H2,1-2H3,(H,18,20)
InChIKeyZVDYSWNQHMAJEW-UHFFFAOYSA-N
XLogP3.29
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide 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

4-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 79612284
3-[(4-cyanothiophen-2-yl)methylamino]-4-methylbenzenesulfonamide
CID 79613516
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79613618
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
ethyl 4-[(4-cyanothiophen-2-yl)methylamino]benzoate
CID 79613906
5-[(2-cyano-3-methylanilino)methyl]thiophene-3-carbonitrile
CID 107803270
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
5-[(3-methoxy-2,4-dimethylanilino)methyl]thiophene-3-carbonitrile
CID 79613514
4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 79611124
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
5-[(2-methoxy-4-methylanilino)methyl]thiophene-3-carbonitrile
CID 79614375
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide (CID 79611702) is 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NCc2cc(C#N)cs2)c1.
What is the InChIKey of 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide?
The InChIKey is ZVDYSWNQHMAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-18-16(20)13-5-4-11(2)15(7-13)19-9-14-6-12(8-17)10-21-14/h4-7,10,19H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide?
3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide has a molecular weight of 299.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 79611702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).