N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide

C14H18N4O2S — CID 56801664

IUPACN-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESN/C(=N\CCc1cccs1)NCCNC(=O)c1ccco1
InChIInChI=1S/C14H18N4O2S/c15-14(17-6-5-11-3-2-10-21-11)18-8-7-16-13(19)12-4-1-9-20-12/h1-4,9-10H,5-8H2,(H,16,19)(H3,15,17,18)
InChIKeyGSVUWCVNNGYBQC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.22
Rot. Bonds7

About N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 56801664) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
PubChem CID56801664
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESN/C(=N\CCc1cccs1)NCCNC(=O)c1ccco1
InChIInChI=1S/C14H18N4O2S/c15-14(17-6-5-11-3-2-10-21-11)18-8-7-16-13(19)12-4-1-9-20-12/h1-4,9-10H,5-8H2,(H,16,19)(H3,15,17,18)
InChIKeyGSVUWCVNNGYBQC-UHFFFAOYSA-N
XLogP1.22
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111349578
2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
4-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydrobromide
CID 138996591
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042845
N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111673686
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
propan-2-yl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037107

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide (CID 56801664) is N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide is N/C(=N\CCc1cccs1)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is GSVUWCVNNGYBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-14(17-6-5-11-3-2-10-21-11)18-8-7-16-13(19)12-4-1-9-20-12/h1-4,9-10H,5-8H2,(H,16,19)(H3,15,17,18).
What are the key properties of N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 56801664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).