2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide

C20H29N5O3S — CID 111284411

IUPAC2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H29N5O3S/c1-2-21-20(24-15-19(26)22-13-16-5-3-9-28-16)23-14-17(18-6-4-12-29-18)25-7-10-27-11-8-25/h3-6,9,12,17H,2,7-8,10-11,13-15H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyFYELGJZNZVNKFL-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.59
Rot. Bonds9

About 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide

2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 111284411) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID111284411
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H29N5O3S/c1-2-21-20(24-15-19(26)22-13-16-5-3-9-28-16)23-14-17(18-6-4-12-29-18)25-7-10-27-11-8-25/h3-6,9,12,17H,2,7-8,10-11,13-15H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyFYELGJZNZVNKFL-UHFFFAOYSA-N
XLogP1.59
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(furan-2-ylmethyl)-2-[[N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111284264
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111309755
1-ethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257440
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111514273
N-benzyl-2-[[ethylamino-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111011834
N-(furan-2-ylmethyl)-2-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111012730
2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111322837
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284230
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284840
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111606959
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111658033
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283453

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide (CID 111284411) is 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide is CCN/C(=N\CC(=O)NCc1ccco1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FYELGJZNZVNKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-2-21-20(24-15-19(26)22-13-16-5-3-9-28-16)23-14-17(18-6-4-12-29-18)25-7-10-27-11-8-25/h3-6,9,12,17H,2,7-8,10-11,13-15H2,1H3,(H,22,26)(H2,21,23,24).
What are the key properties of 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 111284411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).