N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide

C20H19N3O3S — CID 22668078

IUPACN-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)COCc2ccsc2)cc1
InChIInChI=1S/C20H19N3O3S/c21-17-3-1-2-4-18(17)23-20(25)15-5-7-16(8-6-15)22-19(24)12-26-11-14-9-10-27-13-14/h1-10,13H,11-12,21H2,(H,22,24)(H,23,25)
InChIKeyKSGRSZDSMZUEJZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.74
Rot. Bonds7

About N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide

N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide (PubChem CID 22668078) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide
PubChem CID22668078
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)COCc2ccsc2)cc1
InChIInChI=1S/C20H19N3O3S/c21-17-3-1-2-4-18(17)23-20(25)15-5-7-16(8-6-15)22-19(24)12-26-11-14-9-10-27-13-14/h1-10,13H,11-12,21H2,(H,22,24)(H,23,25)
InChIKeyKSGRSZDSMZUEJZ-UHFFFAOYSA-N
XLogP3.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide (CID 22668078) is N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide is Nc1ccccc1NC(=O)c1ccc(NC(=O)COCc2ccsc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide?
The InChIKey is KSGRSZDSMZUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c21-17-3-1-2-4-18(17)23-20(25)15-5-7-16(8-6-15)22-19(24)12-26-11-14-9-10-27-13-14/h1-10,13H,11-12,21H2,(H,22,24)(H,23,25).
What are the key properties of N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide?
N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide is sourced from PubChem (CID 22668078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).