N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide

C14H24F2N2O3S — CID 71040358

IUPACN-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)N[C@H]1C=C(F)C(F)CC1
InChIInChI=1S/C14H24F2N2O3S/c1-10(2)22(20,21)17-8-4-3-5-14(19)18-11-6-7-12(15)13(16)9-11/h9-12,17H,3-8H2,1-2H3,(H,18,19)/t11-,12?/m1/s1
InChIKeyAKJPTOCUPCMMBL-JHJMLUEUSA-N
MW338.42 g/mol
LogP1.95
Rot. Bonds8

About N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 71040358) has the molecular formula C14H24F2N2O3S and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID71040358
Molecular FormulaC14H24F2N2O3S
Molecular Weight338.42 g/mol
Exact Mass338.15
IUPAC NameN-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)N[C@H]1C=C(F)C(F)CC1
InChIInChI=1S/C14H24F2N2O3S/c1-10(2)22(20,21)17-8-4-3-5-14(19)18-11-6-7-12(15)13(16)9-11/h9-12,17H,3-8H2,1-2H3,(H,18,19)/t11-,12?/m1/s1
InChIKeyAKJPTOCUPCMMBL-JHJMLUEUSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 71040358) is N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)N[C@H]1C=C(F)C(F)CC1.
What is the InChIKey of N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is AKJPTOCUPCMMBL-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H24F2N2O3S/c1-10(2)22(20,21)17-8-4-3-5-14(19)18-11-6-7-12(15)13(16)9-11/h9-12,17H,3-8H2,1-2H3,(H,18,19)/t11-,12?/m1/s1.
What are the key properties of N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 338.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,4-difluorocyclohex-2-en-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 71040358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).