5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C58H56F3N7O8S4 — CID 158370632

IUPAC5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)s1.CC(=O)c1ccc(C(=O)O)s1.CN(C)C=CC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)s1.CNc1nccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C18H17FN4OS.C18H19FN2O2S.C15H14FNO2S.C7H6O3S/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12;1-21(2)12-10-15(22)16-7-8-17(24-16)18(23)20-11-9-13-3-5-14(19)6-4-13;1-10(18)13-6-7-14(20-13)15(19)17-9-8-11-2-4-12(16)5-3-11;1-4(8)5-2-3-6(11-5)7(9)10/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23);3-8,10,12H,9,11H2,1-2H3,(H,20,23);2-7H,8-9H2,1H3,(H,17,19);2-3H,1H3,(H,9,10)
InChIKeyGUOJSHYMTGOROY-UHFFFAOYSA-N
MW1164.39 g/mol
LogP11.19
Rot. Bonds20

About 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 158370632) has the molecular formula C58H56F3N7O8S4 and a molecular weight of 1164.39 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID158370632
Molecular FormulaC58H56F3N7O8S4
Molecular Weight1164.39 g/mol
Exact Mass1163.30
IUPAC Name5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)s1.CC(=O)c1ccc(C(=O)O)s1.CN(C)C=CC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)s1.CNc1nccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C18H17FN4OS.C18H19FN2O2S.C15H14FNO2S.C7H6O3S/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12;1-21(2)12-10-15(22)16-7-8-17(24-16)18(23)20-11-9-13-3-5-14(19)6-4-13;1-10(18)13-6-7-14(20-13)15(19)17-9-8-11-2-4-12(16)5-3-11;1-4(8)5-2-3-6(11-5)7(9)10/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23);3-8,10,12H,9,11H2,1-2H3,(H,20,23);2-7H,8-9H2,1H3,(H,17,19);2-3H,1H3,(H,9,10)
InChIKeyGUOJSHYMTGOROY-UHFFFAOYSA-N
XLogP11.19
TPSA216.86 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.39
LogP ≤ 511.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 59468435
N-benzyl-N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 59468461
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 59468467
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 59468476
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 59468482
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 59468505
N-[[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methyl]benzamide
CID 59468528
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-2-carboxamide
CID 59468621
3-[[[5-[2-[3-(4-Methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoic acid
CID 59777012
2-(5-acetylthiophen-2-yl)-5-[[[1-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]pyridine-3-carboxylic acid
CID 130363954
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methoxy-N-methylthiophene-2-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxylic acid;1-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 157232108
2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone
CID 157284490

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 158370632) is 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)s1.CC(=O)c1ccc(C(=O)O)s1.CN(C)C=CC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)s1.CNc1nccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)n1.
What is the InChIKey of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is GUOJSHYMTGOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS.C18H19FN2O2S.C15H14FNO2S.C7H6O3S/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12;1-21(2)12-10-15(22)16-7-8-17(24-16)18(23)20-11-9-13-3-5-14(19)6-4-13;1-10(18)13-6-7-14(20-13)15(19)17-9-8-11-2-4-12(16)5-3-11;1-4(8)5-2-3-6(11-5)7(9)10/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23);3-8,10,12H,9,11H2,1-2H3,(H,20,23);2-7H,8-9H2,1H3,(H,17,19);2-3H,1H3,(H,9,10).
What are the key properties of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 1164.39 g/mol, XLogP of 11.19, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158370632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).