(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

C17H25FN2O3S — CID 2129437

IUPAC(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25FN2O3S/c1-12(2)16(17(21)19-13-8-4-3-5-9-13)20-24(22,23)15-11-7-6-10-14(15)18/h6-7,10-13,16,20H,3-5,8-9H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyOILVBEZMOPXKBG-INIZCTEOSA-N
MW356.46 g/mol
LogP2.58
Rot. Bonds6

About (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 2129437) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID2129437
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25FN2O3S/c1-12(2)16(17(21)19-13-8-4-3-5-9-13)20-24(22,23)15-11-7-6-10-14(15)18/h6-7,10-13,16,20H,3-5,8-9H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyOILVBEZMOPXKBG-INIZCTEOSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 2129437) is (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is OILVBEZMOPXKBG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-12(2)16(17(21)19-13-8-4-3-5-9-13)20-24(22,23)15-11-7-6-10-14(15)18/h6-7,10-13,16,20H,3-5,8-9H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 356.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 2129437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).