(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide

C17H21FN2O4S — CID 142970659

IUPAC(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide
SMILESCON(Cc1ccc(F)cc1)C(=O)/C=C(\O)C(=O)NSC1CCCC1
InChIInChI=1S/C17H21FN2O4S/c1-24-20(11-12-6-8-13(18)9-7-12)16(22)10-15(21)17(23)19-25-14-4-2-3-5-14/h6-10,14,21H,2-5,11H2,1H3,(H,19,23)/b15-10-
InChIKeyFIWLHJRCHNMAKE-GDNBJRDFSA-N
MW368.43 g/mol
LogP2.86
Rot. Bonds7

About (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide

(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide (PubChem CID 142970659) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide.

Molecular Properties

Compound Name(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide
PubChem CID142970659
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide
SMILESCON(Cc1ccc(F)cc1)C(=O)/C=C(\O)C(=O)NSC1CCCC1
InChIInChI=1S/C17H21FN2O4S/c1-24-20(11-12-6-8-13(18)9-7-12)16(22)10-15(21)17(23)19-25-14-4-2-3-5-14/h6-10,14,21H,2-5,11H2,1H3,(H,19,23)/b15-10-
InChIKeyFIWLHJRCHNMAKE-GDNBJRDFSA-N
XLogP2.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide?
The IUPAC name of (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide (CID 142970659) is (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide.
What is the SMILES notation for (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide?
The canonical SMILES for (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide is CON(Cc1ccc(F)cc1)C(=O)/C=C(\O)C(=O)NSC1CCCC1.
What is the InChIKey of (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide?
The InChIKey is FIWLHJRCHNMAKE-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-24-20(11-12-6-8-13(18)9-7-12)16(22)10-15(21)17(23)19-25-14-4-2-3-5-14/h6-10,14,21H,2-5,11H2,1H3,(H,19,23)/b15-10-.
What are the key properties of (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide?
(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide has a molecular weight of 368.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide is sourced from PubChem (CID 142970659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).