N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C19H25FN2O4S — CID 55693711

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H25FN2O4S/c1-3-27(24,25)22(2)14-6-13-21-19(23)12-10-15-9-11-18(26-15)16-7-4-5-8-17(16)20/h4-5,7-9,11H,3,6,10,12-14H2,1-2H3,(H,21,23)
InChIKeySKJHNDZTQZNSGV-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.81
Rot. Bonds10

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 55693711) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID55693711
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H25FN2O4S/c1-3-27(24,25)22(2)14-6-13-21-19(23)12-10-15-9-11-18(26-15)16-7-4-5-8-17(16)20/h4-5,7-9,11H,3,6,10,12-14H2,1-2H3,(H,21,23)
InChIKeySKJHNDZTQZNSGV-UHFFFAOYSA-N
XLogP2.81
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 46451070
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 55693711) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is CCS(=O)(=O)N(C)CCCNC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is SKJHNDZTQZNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c1-3-27(24,25)22(2)14-6-13-21-19(23)12-10-15-9-11-18(26-15)16-7-4-5-8-17(16)20/h4-5,7-9,11H,3,6,10,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 396.48 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 55693711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).