N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide

C10H14N2O2S — CID 79096678

IUPACN-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)CC(N)=S)o1
InChIInChI=1S/C10H14N2O2S/c1-3-7-4-5-8(14-7)10(13)12(2)6-9(11)15/h4-5H,3,6H2,1-2H3,(H2,11,15)
InChIKeyZATGMPQEZCNALF-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.20
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide (PubChem CID 79096678) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
PubChem CID79096678
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)CC(N)=S)o1
InChIInChI=1S/C10H14N2O2S/c1-3-7-4-5-8(14-7)10(13)12(2)6-9(11)15/h4-5H,3,6H2,1-2H3,(H2,11,15)
InChIKeyZATGMPQEZCNALF-UHFFFAOYSA-N
XLogP1.20
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
CID 71974840
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
5-ethyl-N-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 52850973
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81058548
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
N-(2-aminoethyl)-5-ethyl-N-pentan-3-ylfuran-2-carboxamide
CID 79084484
ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046526
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide (CID 79096678) is N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide is CCc1ccc(C(=O)N(C)CC(N)=S)o1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide?
The InChIKey is ZATGMPQEZCNALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-7-4-5-8(14-7)10(13)12(2)6-9(11)15/h4-5H,3,6H2,1-2H3,(H2,11,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 79096678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).