N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide

C13H21NO4S — CID 56789024

IUPACN-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide
SMILESCCN(C(=O)CCc1ccco1)C(C)CS(C)(=O)=O
InChIInChI=1S/C13H21NO4S/c1-4-14(11(2)10-19(3,16)17)13(15)8-7-12-6-5-9-18-12/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyZUHWRUUNGPDGOY-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.49
Rot. Bonds7

About N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide

N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide (PubChem CID 56789024) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide
PubChem CID56789024
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide
SMILESCCN(C(=O)CCc1ccco1)C(C)CS(C)(=O)=O
InChIInChI=1S/C13H21NO4S/c1-4-14(11(2)10-19(3,16)17)13(15)8-7-12-6-5-9-18-12/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyZUHWRUUNGPDGOY-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
CID 96531863
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide
CID 55188196
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-(2-chloroethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 63395584
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide?
The IUPAC name of N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide (CID 56789024) is N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide?
The canonical SMILES for N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide is CCN(C(=O)CCc1ccco1)C(C)CS(C)(=O)=O.
What is the InChIKey of N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide?
The InChIKey is ZUHWRUUNGPDGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-14(11(2)10-19(3,16)17)13(15)8-7-12-6-5-9-18-12/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide?
N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide has a molecular weight of 287.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide is sourced from PubChem (CID 56789024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).