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

C14H17N3OS — CID 55190702

IUPAC4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
SMILESCCN(Cc1cccs1)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C14H17N3OS/c1-2-17(9-11-4-3-7-19-11)13-8-10(14(16)18)5-6-12(13)15/h3-8H,2,9,15H2,1H3,(H2,16,18)
InChIKeyOYCJVFDJYSKFNH-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.46
Rot. Bonds5

About 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide

4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide (PubChem CID 55190702) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
PubChem CID55190702
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
SMILESCCN(Cc1cccs1)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C14H17N3OS/c1-2-17(9-11-4-3-7-19-11)13-8-10(14(16)18)5-6-12(13)15/h3-8H,2,9,15H2,1H3,(H2,16,18)
InChIKeyOYCJVFDJYSKFNH-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-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 113332691
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
methyl 4-amino-3-[methyl(thiophen-2-ylmethyl)amino]benzoate
CID 82786031
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
4-amino-3-[2-cyanoethyl(ethyl)amino]benzamide
CID 63356818
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
The IUPAC name of 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide (CID 55190702) is 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide is CCN(Cc1cccs1)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
The InChIKey is OYCJVFDJYSKFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-17(9-11-4-3-7-19-11)13-8-10(14(16)18)5-6-12(13)15/h3-8H,2,9,15H2,1H3,(H2,16,18).
What are the key properties of 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide?
4-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 4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 55190702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).