N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide

C10H15NO2S — CID 107024393

IUPACN-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
SMILESCCN(Cc1ccco1)C(=O)C(C)S
InChIInChI=1S/C10H15NO2S/c1-3-11(10(12)8(2)14)7-9-5-4-6-13-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyGWDQVRQRUXCRCZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.95
Rot. Bonds4

About N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide

N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide (PubChem CID 107024393) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
PubChem CID107024393
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
SMILESCCN(Cc1ccco1)C(=O)C(C)S
InChIInChI=1S/C10H15NO2S/c1-3-11(10(12)8(2)14)7-9-5-4-6-13-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyGWDQVRQRUXCRCZ-UHFFFAOYSA-N
XLogP1.95
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.95
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

(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
CID 113357146
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
CID 76894772
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide (CID 107024393) is N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide is CCN(Cc1ccco1)C(=O)C(C)S.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide?
The InChIKey is GWDQVRQRUXCRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-11(10(12)8(2)14)7-9-5-4-6-13-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide?
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide has a molecular weight of 213.30 g/mol, XLogP of 1.95, 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)-2-sulfanylpropanamide is sourced from PubChem (CID 107024393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).