4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide

C15H19N3OS — CID 63360728

IUPAC4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCc2cccs2)c1
InChIInChI=1S/C15H19N3OS/c1-2-17-15(19)11-5-6-13(16)14(10-11)18-8-7-12-4-3-9-20-12/h3-6,9-10,18H,2,7-8,16H2,1H3,(H,17,19)
InChIKeyNBPIMOMDLFIJCB-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.73
Rot. Bonds6

About 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide

4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide (PubChem CID 63360728) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
PubChem CID63360728
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCc2cccs2)c1
InChIInChI=1S/C15H19N3OS/c1-2-17-15(19)11-5-6-13(16)14(10-11)18-8-7-12-4-3-9-20-12/h3-6,9-10,18H,2,7-8,16H2,1H3,(H,17,19)
InChIKeyNBPIMOMDLFIJCB-UHFFFAOYSA-N
XLogP2.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
CID 63361152
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
CID 63361031
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
3-amino-4-(2-thiophen-2-ylethylamino)benzamide
CID 43382673
3-amino-N-ethyl-4-(thiophen-2-ylmethoxy)benzamide
CID 82999856
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide (CID 63360728) is 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide is CCNC(=O)c1ccc(N)c(NCCc2cccs2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide?
The InChIKey is NBPIMOMDLFIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-17-15(19)11-5-6-13(16)14(10-11)18-8-7-12-4-3-9-20-12/h3-6,9-10,18H,2,7-8,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide?
4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide is sourced from PubChem (CID 63360728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).