N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide

C14H16N2O4S — CID 653402

IUPACN-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NCc1ccco1)NCc1ccco1
InChIInChI=1S/C14H16N2O4S/c17-13(15-7-11-3-1-5-19-11)9-21-10-14(18)16-8-12-4-2-6-20-12/h1-6H,7-10H2,(H,15,17)(H,16,18)
InChIKeyMLUQAINCAZSYBX-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.54
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 653402) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID653402
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NCc1ccco1)NCc1ccco1
InChIInChI=1S/C14H16N2O4S/c17-13(15-7-11-3-1-5-19-11)9-21-10-14(18)16-8-12-4-2-6-20-12/h1-6H,7-10H2,(H,15,17)(H,16,18)
InChIKeyMLUQAINCAZSYBX-UHFFFAOYSA-N
XLogP1.54
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide (CID 653402) is N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)NCc1ccco1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is MLUQAINCAZSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13(15-7-11-3-1-5-19-11)9-21-10-14(18)16-8-12-4-2-6-20-12/h1-6H,7-10H2,(H,15,17)(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 308.36 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 653402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).