N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide

C21H22ClN3S — CID 71718237

IUPACN'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1
InChIInChI=1S/C21H22ClN3S/c22-18-4-1-3-17(15-18)11-13-24-12-10-16-6-8-19(9-7-16)25-21(23)20-5-2-14-26-20/h1-9,14-15,24H,10-13H2,(H2,23,25)
InChIKeyATVRASTXXITQAM-UHFFFAOYSA-N
MW383.95 g/mol
LogP4.81
Rot. Bonds8

About N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide

N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide (PubChem CID 71718237) has the molecular formula C21H22ClN3S and a molecular weight of 383.95 g/mol. Its IUPAC name is N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
PubChem CID71718237
Molecular FormulaC21H22ClN3S
Molecular Weight383.95 g/mol
Exact Mass383.12
IUPAC NameN'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1
InChIInChI=1S/C21H22ClN3S/c22-18-4-1-3-17(15-18)11-13-24-12-10-16-6-8-19(9-7-16)25-21(23)20-5-2-14-26-20/h1-9,14-15,24H,10-13H2,(H2,23,25)
InChIKeyATVRASTXXITQAM-UHFFFAOYSA-N
XLogP4.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 70204881
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
N'-[4-[2-(3-phenylprop-2-enylamino)ethyl]phenyl]thiophene-2-carboximidamide;hydroiodide
CID 69027776
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 67795805
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-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide
CID 22646381
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide;hydrochloride
CID 22646421
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(3,5-ditert-butyl-4-hydroxyphenoxy)acetamide;hydroiodide
CID 18765732
N'-[3-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 10390299

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide (CID 71718237) is N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1.
What is the InChIKey of N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is ATVRASTXXITQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3S/c22-18-4-1-3-17(15-18)11-13-24-12-10-16-6-8-19(9-7-16)25-21(23)20-5-2-14-26-20/h1-9,14-15,24H,10-13H2,(H2,23,25).
What are the key properties of N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide?
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 383.95 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 71718237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).