2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

C19H23FN2O3S2 — CID 43872531

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S2/c1-4-22(27(24,25)18-11-7-16(20)8-12-18)13-19(23)21-14(2)15-5-9-17(26-3)10-6-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyUTKQNYHVHBDKER-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.44
Rot. Bonds8

About 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 43872531) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID43872531
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S2/c1-4-22(27(24,25)18-11-7-16(20)8-12-18)13-19(23)21-14(2)15-5-9-17(26-3)10-6-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyUTKQNYHVHBDKER-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543966
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544794
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 28547921
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544490
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544492
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30403931
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 43872531) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is CCN(CC(=O)NC(C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is UTKQNYHVHBDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c1-4-22(27(24,25)18-11-7-16(20)8-12-18)13-19(23)21-14(2)15-5-9-17(26-3)10-6-15/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 43872531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).