(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

C19H25FN4O4S — CID 95782764

IUPAC(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1
InChIInChI=1S/C19H25FN4O4S/c1-12(24-29(26,27)16-11-7-6-10-15(16)20)18(25)21-13(2)19-22-17(23-28-19)14-8-4-3-5-9-14/h6-7,10-14,24H,3-5,8-9H2,1-2H3,(H,21,25)/t12-,13+/m0/s1
InChIKeyLRCSYRUVWWDQBN-QWHCGFSZSA-N
MW424.50 g/mol
LogP2.80
Rot. Bonds7

About (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 95782764) has the molecular formula C19H25FN4O4S and a molecular weight of 424.50 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID95782764
Molecular FormulaC19H25FN4O4S
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1
InChIInChI=1S/C19H25FN4O4S/c1-12(24-29(26,27)16-11-7-6-10-15(16)20)18(25)21-13(2)19-22-17(23-28-19)14-8-4-3-5-9-14/h6-7,10-14,24H,3-5,8-9H2,1-2H3,(H,21,25)/t12-,13+/m0/s1
InChIKeyLRCSYRUVWWDQBN-QWHCGFSZSA-N
XLogP2.80
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 95782764) is (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1.
What is the InChIKey of (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is LRCSYRUVWWDQBN-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H25FN4O4S/c1-12(24-29(26,27)16-11-7-6-10-15(16)20)18(25)21-13(2)19-22-17(23-28-19)14-8-4-3-5-9-14/h6-7,10-14,24H,3-5,8-9H2,1-2H3,(H,21,25)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 424.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 95782764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).