2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride

C20H20ClN3OS — CID 142649841

IUPAC2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1CCc1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C20H19N3OS.ClH/c21-19(18-6-3-13-25-18)23-16-11-8-14(9-12-16)7-10-15-4-1-2-5-17(15)20(22)24;/h1-6,8-9,11-13H,7,10H2,(H2,21,23)(H2,22,24);1H
InChIKeyWEGCCHWKDMDMGM-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.09
Rot. Bonds6

About 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride

2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride (PubChem CID 142649841) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
PubChem CID142649841
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1CCc1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C20H19N3OS.ClH/c21-19(18-6-3-13-25-18)23-16-11-8-14(9-12-16)7-10-15-4-1-2-5-17(15)20(22)24;/h1-6,8-9,11-13H,7,10H2,(H2,21,23)(H2,22,24);1H
InChIKeyWEGCCHWKDMDMGM-UHFFFAOYSA-N
XLogP4.09
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-[(4-hydroxyphenyl)methylidene]butanamide
CID 139922641
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide;hydrochloride
CID 22646421
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide
CID 15462191
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide
CID 22646381
2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 154489738

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride?
The IUPAC name of 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride (CID 142649841) is 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride is Cl.NC(=O)c1ccccc1CCc1ccc(/N=C(\N)c2cccs2)cc1.
What is the InChIKey of 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride?
The InChIKey is WEGCCHWKDMDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS.ClH/c21-19(18-6-3-13-25-18)23-16-11-8-14(9-12-16)7-10-15-4-1-2-5-17(15)20(22)24;/h1-6,8-9,11-13H,7,10H2,(H2,21,23)(H2,22,24);1H.
What are the key properties of 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride?
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride has a molecular weight of 385.92 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 142649841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).