N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide

C14H15NO2S — CID 107024394

IUPACN-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
SMILESCCN(Cc1ccco1)C(=O)c1cccc(S)c1
InChIInChI=1S/C14H15NO2S/c1-2-15(10-12-6-4-8-17-12)14(16)11-5-3-7-13(18)9-11/h3-9,18H,2,10H2,1H3
InChIKeyYVFMHWGTLYSYOY-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide

N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide (PubChem CID 107024394) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
PubChem CID107024394
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
SMILESCCN(Cc1ccco1)C(=O)c1cccc(S)c1
InChIInChI=1S/C14H15NO2S/c1-2-15(10-12-6-4-8-17-12)14(16)11-5-3-7-13(18)9-11/h3-9,18H,2,10H2,1H3
InChIKeyYVFMHWGTLYSYOY-UHFFFAOYSA-N
XLogP3.23
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349536
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81093317
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide (CID 107024394) is N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide is CCN(Cc1ccco1)C(=O)c1cccc(S)c1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide?
The InChIKey is YVFMHWGTLYSYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-15(10-12-6-4-8-17-12)14(16)11-5-3-7-13(18)9-11/h3-9,18H,2,10H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide?
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107024394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).