N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide

C21H17FN2O2S — CID 75534311

IUPACN-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(C/C=C/c1cccc(F)c1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H17FN2O2S/c22-16-6-1-4-15(14-16)5-2-8-20(25)23-17-9-11-18(12-10-17)24-21(26)19-7-3-13-27-19/h1-7,9-14H,8H2,(H,23,25)(H,24,26)/b5-2+
InChIKeyGGAFAILOPLPEQR-GORDUTHDSA-N
MW380.44 g/mol
LogP5.18
Rot. Bonds6

About N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 75534311) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID75534311
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(C/C=C/c1cccc(F)c1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H17FN2O2S/c22-16-6-1-4-15(14-16)5-2-8-20(25)23-17-9-11-18(12-10-17)24-21(26)19-7-3-13-27-19/h1-7,9-14H,8H2,(H,23,25)(H,24,26)/b5-2+
InChIKeyGGAFAILOPLPEQR-GORDUTHDSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
CID 67712602
(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide
CID 75534307
N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide
CID 89394302
N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31521034
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide (CID 75534311) is N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide is O=C(C/C=C/c1cccc(F)c1)Nc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is GGAFAILOPLPEQR-GORDUTHDSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-16-6-1-4-15(14-16)5-2-8-20(25)23-17-9-11-18(12-10-17)24-21(26)19-7-3-13-27-19/h1-7,9-14H,8H2,(H,23,25)(H,24,26)/b5-2+.
What are the key properties of N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 75534311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).