N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide

C20H26N4O2S — CID 111259071

IUPACN-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)C2CCCO2)c1)NCc1cccs1
InChIInChI=1S/C20H26N4O2S/c1-2-21-20(23-14-17-8-5-11-27-17)22-13-15-6-3-7-16(12-15)24-19(25)18-9-4-10-26-18/h3,5-8,11-12,18H,2,4,9-10,13-14H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyZYDFWGBPLXRAIA-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.12
Rot. Bonds7

About N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 111259071) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID111259071
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)C2CCCO2)c1)NCc1cccs1
InChIInChI=1S/C20H26N4O2S/c1-2-21-20(23-14-17-8-5-11-27-17)22-13-15-6-3-7-16(12-15)24-19(25)18-9-4-10-26-18/h3,5-8,11-12,18H,2,4,9-10,13-14H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyZYDFWGBPLXRAIA-UHFFFAOYSA-N
XLogP3.12
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-[[[ethylamino-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111349393
N-[3-[[bis(ethylamino)methylideneamino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 110918381
N-[3-[[[(benzylamino)-(ethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 110952624
N-[3-[[[(benzylamino)-(ethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 110952623
N-[3-[[[ethylamino-[(5-methylthiophen-2-yl)methylamino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111898990
N-[3-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111900989
N-[3-[[[ethylamino-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111581807
N-[3-[[[ethylamino-[(4-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111244658
N-[3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111259068
N-[3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111178604
N-[3-[[[ethylamino-[(3-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111250637
N-[3-[[[[(2-chlorophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111174265

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide (CID 111259071) is N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide is CCN/C(=N\Cc1cccc(NC(=O)C2CCCO2)c1)NCc1cccs1.
What is the InChIKey of N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is ZYDFWGBPLXRAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-21-20(23-14-17-8-5-11-27-17)22-13-15-6-3-7-16(12-15)24-19(25)18-9-4-10-26-18/h3,5-8,11-12,18H,2,4,9-10,13-14H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 111259071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).