N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide

C16H17FN2O2S — CID 27256783

IUPACN-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c17-14-5-3-12(4-6-14)10-19-15(20)2-1-8-18-16(21)13-7-9-22-11-13/h3-7,9,11H,1-2,8,10H2,(H,18,21)(H,19,20)
InChIKeyLDVHKTIXDZPUED-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.71
Rot. Bonds7

About N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 27256783) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID27256783
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c17-14-5-3-12(4-6-14)10-19-15(20)2-1-8-18-16(21)13-7-9-22-11-13/h3-7,9,11H,1-2,8,10H2,(H,18,21)(H,19,20)
InChIKeyLDVHKTIXDZPUED-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.71
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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Related Compounds

N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35859231
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
CID 154774741
N-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18164911
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 34573533
N-[4-(isoquinolin-1-ylmethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 26071493
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30276571
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide (CID 27256783) is N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is LDVHKTIXDZPUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-14-5-3-12(4-6-14)10-19-15(20)2-1-8-18-16(21)13-7-9-22-11-13/h3-7,9,11H,1-2,8,10H2,(H,18,21)(H,19,20).
What are the key properties of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 27256783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).