2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C19H20F4N2O3S2 — CID 55340951

IUPAC2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F4N2O3S2/c1-29-10-9-16(25-30(27,28)17-8-3-2-7-15(17)20)18(26)24-12-13-5-4-6-14(11-13)19(21,22)23/h2-8,11,16,25H,9-10,12H2,1H3,(H,24,26)
InChIKeyPRAWSPGJKFUYCK-UHFFFAOYSA-N
MW464.51 g/mol
LogP3.56
Rot. Bonds9

About 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 55340951) has the molecular formula C19H20F4N2O3S2 and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID55340951
Molecular FormulaC19H20F4N2O3S2
Molecular Weight464.51 g/mol
Exact Mass464.09
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F4N2O3S2/c1-29-10-9-16(25-30(27,28)17-8-3-2-7-15(17)20)18(26)24-12-13-5-4-6-14(11-13)19(21,22)23/h2-8,11,16,25H,9-10,12H2,1H3,(H,24,26)
InChIKeyPRAWSPGJKFUYCK-UHFFFAOYSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
CID 55689276
2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
CID 24598971
2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 55638144
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
(2S)-2-(ethylsulfonylamino)-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbutanamide
CID 94825011
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
N-[2-(3-chlorophenoxy)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55724599
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55859139
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfanylbutanamide
CID 41136094
2-[(2-fluorophenyl)sulfonylamino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylsulfanylbutanamide
CID 55977067
2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 24687371
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 26873336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 55340951) is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is PRAWSPGJKFUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O3S2/c1-29-10-9-16(25-30(27,28)17-8-3-2-7-15(17)20)18(26)24-12-13-5-4-6-14(11-13)19(21,22)23/h2-8,11,16,25H,9-10,12H2,1H3,(H,24,26).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 464.51 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55340951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).