N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide

C14H17N3O3S — CID 36512248

IUPACN-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)NCCc1cccs1
InChIInChI=1S/C14H17N3O3S/c18-13(12-4-1-9-20-12)15-7-8-17-14(19)16-6-5-11-3-2-10-21-11/h1-4,9-10H,5-8H2,(H,15,18)(H2,16,17,19)
InChIKeyRPWFJXLKEXIDFP-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide

N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide (PubChem CID 36512248) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide
PubChem CID36512248
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC NameN-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)NCCc1cccs1
InChIInChI=1S/C14H17N3O3S/c18-13(12-4-1-9-20-12)15-7-8-17-14(19)16-6-5-11-3-2-10-21-11/h1-4,9-10H,5-8H2,(H,15,18)(H2,16,17,19)
InChIKeyRPWFJXLKEXIDFP-UHFFFAOYSA-N
XLogP1.61
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide (CID 36512248) is N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccco1)NCCc1cccs1.
What is the InChIKey of N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide?
The InChIKey is RPWFJXLKEXIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-13(12-4-1-9-20-12)15-7-8-17-14(19)16-6-5-11-3-2-10-21-11/h1-4,9-10H,5-8H2,(H,15,18)(H2,16,17,19).
What are the key properties of N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide?
N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 36512248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).