2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide

C14H17N3OS — CID 113332691

IUPAC2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
SMILESCCN(Cc1cccs1)c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H17N3OS/c1-2-17(9-10-5-4-8-19-10)12-7-3-6-11(13(12)15)14(16)18/h3-8H,2,9,15H2,1H3,(H2,16,18)
InChIKeyFNFZTYRHAFLGQA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide

2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide (PubChem CID 113332691) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
PubChem CID113332691
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
SMILESCCN(Cc1cccs1)c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H17N3OS/c1-2-17(9-10-5-4-8-19-10)12-7-3-6-11(13(12)15)14(16)18/h3-8H,2,9,15H2,1H3,(H2,16,18)
InChIKeyFNFZTYRHAFLGQA-UHFFFAOYSA-N
XLogP2.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
2-(bromomethyl)-3-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081314
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
The IUPAC name of 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide (CID 113332691) is 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide is CCN(Cc1cccs1)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
The InChIKey is FNFZTYRHAFLGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-17(9-10-5-4-8-19-10)12-7-3-6-11(13(12)15)14(16)18/h3-8H,2,9,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 113332691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).