2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide

C19H23FN2O3S2 — CID 4878285

IUPAC2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H23FN2O3S2/c1-14(15-8-4-3-5-9-15)21-19(23)17(12-13-26-2)22-27(24,25)18-11-7-6-10-16(18)20/h3-11,14,17,22H,12-13H2,1-2H3,(H,21,23)
InChIKeyKLNVVBSXKMPMQB-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.10
Rot. Bonds9

About 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide (PubChem CID 4878285) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide
PubChem CID4878285
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H23FN2O3S2/c1-14(15-8-4-3-5-9-15)21-19(23)17(12-13-26-2)22-27(24,25)18-11-7-6-10-16(18)20/h3-11,14,17,22H,12-13H2,1-2H3,(H,21,23)
InChIKeyKLNVVBSXKMPMQB-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide (CID 4878285) is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide?
The InChIKey is KLNVVBSXKMPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c1-14(15-8-4-3-5-9-15)21-19(23)17(12-13-26-2)22-27(24,25)18-11-7-6-10-16(18)20/h3-11,14,17,22H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide?
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide has a molecular weight of 410.54 g/mol, XLogP of 3.10, 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-(1-phenylethyl)butanamide is sourced from PubChem (CID 4878285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).