N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide

C19H21F2NO3S — CID 86850077

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCCN(C(=O)C(C)S(=O)(=O)c1ccc(F)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H21F2NO3S/c1-4-22(13(2)15-5-7-16(20)8-6-15)19(23)14(3)26(24,25)18-11-9-17(21)10-12-18/h5-14H,4H2,1-3H3
InChIKeyRQGQPDHEXADEDB-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.74
Rot. Bonds6

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 86850077) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID86850077
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCCN(C(=O)C(C)S(=O)(=O)c1ccc(F)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H21F2NO3S/c1-4-22(13(2)15-5-7-16(20)8-6-15)19(23)14(3)26(24,25)18-11-9-17(21)10-12-18/h5-14H,4H2,1-3H3
InChIKeyRQGQPDHEXADEDB-UHFFFAOYSA-N
XLogP3.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
2-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286679
2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
CID 55739528
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 86850077) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide is CCN(C(=O)C(C)S(=O)(=O)c1ccc(F)cc1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is RQGQPDHEXADEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-4-22(13(2)15-5-7-16(20)8-6-15)19(23)14(3)26(24,25)18-11-9-17(21)10-12-18/h5-14H,4H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 381.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 86850077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).