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

C20H19N3OS — CID 19353828

IUPACN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
SMILESN/C(=N\c1ccc(CCNC(=O)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H19N3OS/c21-19(18-7-4-14-25-18)23-17-10-8-15(9-11-17)12-13-22-20(24)16-5-2-1-3-6-16/h1-11,14H,12-13H2,(H2,21,23)(H,22,24)
InChIKeyWUCFPWRLGWACBB-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.76
Rot. Bonds6

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

N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide (PubChem CID 19353828) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
PubChem CID19353828
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
SMILESN/C(=N\c1ccc(CCNC(=O)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H19N3OS/c21-19(18-7-4-14-25-18)23-17-10-8-15(9-11-17)12-13-22-20(24)16-5-2-1-3-6-16/h1-11,14H,12-13H2,(H2,21,23)(H,22,24)
InChIKeyWUCFPWRLGWACBB-UHFFFAOYSA-N
XLogP3.76
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.76
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

1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-hydroxy-5-methoxy-3-methylbenzamide
CID 18765735
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide;hydrochloride
CID 18765715
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 18765747
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea;hydroiodide
CID 18765775
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
4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
CID 142649841

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide (CID 19353828) is N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide is N/C(=N\c1ccc(CCNC(=O)c2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide?
The InChIKey is WUCFPWRLGWACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c21-19(18-7-4-14-25-18)23-17-10-8-15(9-11-17)12-13-22-20(24)16-5-2-1-3-6-16/h1-11,14H,12-13H2,(H2,21,23)(H,22,24).
What are the key properties of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide?
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide is sourced from PubChem (CID 19353828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).