N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

C18H19FN2O3S — CID 72877200

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(C2CCCO2)s1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-13-5-3-12(4-6-13)17(22)20-9-10-21-18(23)16-8-7-15(25-16)14-2-1-11-24-14/h3-8,14H,1-2,9-11H2,(H,20,22)(H,21,23)
InChIKeyZWHUNJFTHNGQPT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.90
Rot. Bonds6

About N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 72877200) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID72877200
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(C2CCCO2)s1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-13-5-3-12(4-6-13)17(22)20-9-10-21-18(23)16-8-7-15(25-16)14-2-1-11-24-14/h3-8,14H,1-2,9-11H2,(H,20,22)(H,21,23)
InChIKeyZWHUNJFTHNGQPT-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 72877200) is N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is O=C(NCCNC(=O)c1ccc(C2CCCO2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is ZWHUNJFTHNGQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-13-5-3-12(4-6-13)17(22)20-9-10-21-18(23)16-8-7-15(25-16)14-2-1-11-24-14/h3-8,14H,1-2,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 72877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).